SCHEMBL5771573

SCHEMBL5771573

COCCN(C)CCn1cc(-c2cc3cccnc3[nH]2)c2cc(OC)c(OC)cc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.65
SYK P43405 1/20 0.42
RIPK1 Q13546 5/20 0.40
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39
CCNB2 O95067 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
KDR P35968 2/20 0.37
GSK3B P49841 4/20 0.36
JAK2 O60674 1/20 0.36
LCK P06239 1/20 0.36
GSK3A P49840 1/20 0.36
CDK7 P50613 1/20 0.36
BTK Q06187 1/20 0.36
LRRK2 Q5S007 1/20 0.36
AURKB Q96GD4 1/20 0.36
CDC7 O00311 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
CAPN1 P07384 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL1748912 0.92 IGF1R (0.56) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL27687967 0.92 IGF1R (0.66) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL27688138 0.92 IGF1R (0.68) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL1748978 0.90 IGF1R (0.74) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL27687982 0.85 IGF1R (0.66) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL27687974 0.84 IGF1R (0.74) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL1749243 0.84 IGF1R (0.74) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL1748850 0.82 IGF1R (0.71) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL1748652 0.82 IGF1R (0.71) IGF1RSYKRIPK1CDK1CCNB1
SCHEMBL27688037 0.82 IGF1R (0.73) IGF1RSYKRIPK1CDK1CCNB1

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