SCHEMBL14286134

SCHEMBL14286134

O=C(c1cc(-c2cncn2-c2cccc(F)c2F)c[nH]1)N1CCCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.46
MAPK10 P53779 1/20 0.46
HPGD P15428 2/20 0.42
LMNA P02545 1/20 0.39
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ATP4A P20648 2/20 0.37
ATP4B P51164 2/20 0.37
POLB P06746 1/20 0.35
HRH4 Q9H3N8 3/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5033986 0.85 NOTUM (0.36) MAPK1MAPK10
SCHEMBL14286148 0.82 MAPK1 (0.42) MAPK1MAPK10HPGDLMNAALDH1A1
SCHEMBL14600760 0.80 HPGD (0.42) MAPK1HPGDLMNAALDH1A1MEN1
SCHEMBL14286143 0.79 MAPK1 (0.46) MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL14286137 0.75 MAPK1 (0.53) MAPK1MAPK10HPGDLMNAALDH1A1
SCHEMBL5047846 0.73 MAPK1 (0.47) MAPK1MAPK10HPGDLMNAALDH1A1
SCHEMBL5037077 0.72 ALDH1A1 (0.36) MAPK1MAPK10HPGDALDH1A1MEN1
SCHEMBL14286124 0.71 MAPK1 (0.45) MAPK1MAPK10HPGDLMNAALDH1A1
SCHEMBL14286171 0.71 MAPK1 (0.52) MAPK1MAPK10HPGDLMNAALDH1A1
SCHEMBL5038382 0.71 MAPK1 (0.49) MAPK1MAPK10HPGDLMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US disclosed
US-7314885-B2 Pyrrole compounds useful as kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-01-01 US disclosed