SCHEMBL4766930

SCHEMBL4766930

CN1CCN(Cc2ccc(-c3cc4c(Nc5cccc(Cl)c5)ncnc4[nH]3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.54
ERBB2 P04626 4/20 0.54
EGFR P00533 3/20 0.54
STK10 O94804 1/20 0.54
MAP4K4 O95819 1/20 0.54
ABL1 P00519 1/20 0.54
YES1 P07947 1/20 0.54
RET P07949 1/20 0.54
PDGFRB P09619 1/20 0.54
BCR P11274 1/20 0.54
FLT1 P17948 1/20 0.54
ERBB3 P21860 1/20 0.54
WEE1 P30291 1/20 0.54
ABL2 P42684 1/20 0.54
NEK3 P51956 1/20 0.54
LIMK1 P53667 1/20 0.54
LIMK2 P53671 1/20 0.54
EPHB4 P54760 1/20 0.54
ACVR1 Q04771 1/20 0.54
TNK2 Q07912 1/20 0.54

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
Hydrochloric Acid SCHEMBL4764268 0.99 KDR (0.54) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4774356 0.89 CSF1R (0.65) KDRERBB2EGFRSTK10MAP4K4
Hydrochloric Acid SCHEMBL4765807 0.88 CSF1R (0.64) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4764690 0.87 AXL (0.56) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4764771 0.86 EGFR (0.59) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4774926 0.85 TTBK1 (0.50) KDRERBB2EGFRABL1PDGFRB
SCHEMBL4768916 0.84 KDR (0.51) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4766925 0.84 KDR (0.51) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4767157 0.83 AXL (0.52) KDRERBB2EGFRSTK10MAP4K4
SCHEMBL4067576 0.83 KDR (0.60) KDRERBB2EGFRSTK10MAP4K4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416935-B1 4-AMINO-6-PHENYL-PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2008-03-12 EP claimed