SCHEMBL5748863

SCHEMBL5748863

Cc1ccc(-c2n[nH]c3nc(C(C)(C)C)nc(N)c23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 3/20 0.37
ALDH1A1 P00352 3/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
KDM4E B2RXH2 4/20 0.36
LMNA P02545 2/20 0.36
PLK4 O00444 1/20 0.36
RIPK2 O43353 1/20 0.36
ROCK2 O75116 1/20 0.36
PRKD3 O94806 1/20 0.36
MAP4K4 O95819 1/20 0.36
ABL1 P00519 1/20 0.36
EGFR P00533 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1270136 0.87 CNR1 (0.44) MEN1KMT2ASMN1; SMN2MAPK1RIPK2
SCHEMBL7515835 0.87 CLK4 (0.42) MEN1KMT2AHPGDSMN1; SMN2MAPK1
SCHEMBL7826933 0.81 IKBKB (0.46) PIK3CDPIK3CAPIK3CBPIK3CGPRKDC
SCHEMBL6055066 0.79 KDM4E (0.50) MEN1KMT2AALDH1A1PIK3CDPIK3CA
SCHEMBL5748864 0.76 PIK3CD (0.58) MEN1KMT2AHPGDSMN1; SMN2ALDH1A1
SCHEMBL3782102 0.76 PIK3CD (0.57) MEN1KMT2AHPGDSMN1; SMN2MAPK1
SCHEMBL2361495 0.76 SMN1; SMN2 (0.40) MEN1KMT2AHPGDSMN1; SMN2MAPK1
SCHEMBL8402143 0.73 BTK (0.55) BTK
SCHEMBL2228840 0.70 KDR (0.42) MEN1KMT2AHPGDSMN1; SMN2PIK3CD
SCHEMBL5088174 0.70 PIK3CD (0.60) MEN1KMT2AHPGDSMN1; SMN2MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482983-A4 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RES DEV CO (IL) 2006-07-12 EP claimed
EP-1482983-A2 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-12-08 EP claimed
WO-2003065971-A9 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RES DEV CO (IL) 2003-11-20 WO claimed
WO-2003065971-A2 NON-MYELOABLATIVE TOLEROGENIC TREATMENT WITH TYRPHOSTINS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-08-14 WO claimed
EP-1638966-A2 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO ¬3,4-d| PYRIMIDINE AND PYRROLO ¬2,3-d| PYRIMIDINE AND USES THEREOF UNIVERSITA DEGLI STUDI DI SIENA (IT) 2006-03-29 EP disclosed
WO-2004106340-A2 4-SUBSTITUTED DERIVATIVES OF PYRAZOLO [3,4-d] PYRIMIDINE AND PYRROLO [2,3-d] PYRIMIDINE AND USES THEREOF UNIVERSITÀ DEGLI STUDI DI SIENA (IT) 2004-12-09 WO disclosed
US-20020016976-A1 Engineered protein kinases which can utilize modified nucleotide triphosphate substrates PRINCETON UNIVERSITY 2002-02-07 US disclosed