SCHEMBL5797459

SCHEMBL5797459

COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCCCC1C1CCNCC1.COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCN(C)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
EGFR P00533 4/20 0.36
KDR P35968 3/20 0.35
EPHA2 P29317 2/20 0.35
EPHB4 P54760 2/20 0.35
FGFR1 P11362 1/20 0.35
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
AXL P30530 4/20 0.34
EHMT2 Q96KQ7 3/20 0.34
DNMT1 P26358 2/20 0.34
NSD2 O96028 1/20 0.34
MCHR1 Q99705 1/20 0.34
CDK9 P50750 4/20 0.34
CCNT1 O60563 2/20 0.34
CDC7 O00311 1/20 0.34
PIM1 P11309 1/20 0.34
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
CASP3 P42574 1/20 0.33

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
Pyridine SCHEMBL5795752 0.96 IGF1R (0.41) IGF1REGFRKDREPHA2EPHB4
SCHEMBL1748713 0.95 IGF1R (0.46) IGF1RKDREPHA2EPHB4AXL
SCHEMBL1748700 0.88 IGF1R (0.53) IGF1REGFRKDREPHA2EPHB4
SCHEMBL5797454 0.86 IGF1R (0.45) IGF1REGFRKDREPHA2EPHB4
Pyridine SCHEMBL5795805 0.84 IGF1R (0.51) IGF1REGFRKDREPHA2EPHB4
SCHEMBL4493773 0.83 IGF1R (0.46) IGF1REGFRKDREPHA2EPHB4
SCHEMBL5795300 0.83 IGF1R (0.47) IGF1REGFRKDREPHA2EPHB4
SCHEMBL1748714 0.82 IGF1R (0.47) IGF1REGFRKDREPHA2EPHB4
SCHEMBL1748784 0.79 IGF1R (0.50) IGF1REGFRKDREPHA2EPHB4
SCHEMBL4496734 0.79 IGF1R (0.49) IGF1REGFRKDREPHA2EPHB4

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
EP-1732546-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS Aventis Pharma S.A. (FR) 2006-12-20 EP disclosed
WO-2005095399-A2 NOVEL PYRROLO (2,3-B)PYRIDINE DERIVATIVES, THE PREPARATION AND THE PHARMACEUTICAL USE THEREOF IN THE FORM OF KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2005-10-13 WO disclosed