Pyridine

Pyridine

SCHEMBL5795752

COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCCCC1C1CCNCC1.COc1cc2c(-c3cc4c(Cl)ccnc4[nH]3)cn(C)c2cc1OCCN1CCN(C)CC1.c1ccncc1

nearest known ligand 0.41

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Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.41
EHMT2 Q96KQ7 4/20 0.34
DNMT1 P26358 3/20 0.34
EGFR P00533 2/20 0.34
PDE4D Q08499 2/20 0.34
AXL P30530 4/20 0.34
KDR P35968 3/20 0.33
EPHA2 P29317 2/20 0.33
EPHB4 P54760 2/20 0.33
FGFR1 P11362 1/20 0.33
FLT1 P17948 1/20 0.33
FLT4 P35916 1/20 0.33
NSD2 O96028 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL5797459 0.96 IGF1R (0.42) IGF1REHMT2DNMT1EGFRAXL
SCHEMBL1748713 0.92 IGF1R (0.46) IGF1REHMT2DNMT1AXLKDR
Pyridine SCHEMBL5795805 0.89 IGF1R (0.51) IGF1REGFRPDE4DAXLKDR
SCHEMBL1748700 0.85 IGF1R (0.53) IGF1REGFRAXLKDREPHA2
SCHEMBL5797454 0.82 IGF1R (0.45) IGF1REHMT2DNMT1EGFRAXL
SCHEMBL4493773 0.80 IGF1R (0.46) IGF1REHMT2EGFRKDREPHA2
SCHEMBL5795300 0.80 IGF1R (0.47) IGF1REHMT2DNMT1EGFRAXL
SCHEMBL1748714 0.79 IGF1R (0.47) IGF1REHMT2EGFRKDREPHA2
SCHEMBL1748784 0.76 IGF1R (0.50) IGF1REHMT2EGFRKDREPHA2
SCHEMBL4496734 0.76 IGF1R (0.49) IGF1REHMT2EGFRKDREPHA2

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