SCHEMBL13136602

SCHEMBL13136602

Cc1ccnc(Nc2cccc(-c3ccc(C(=O)N4CCOCC4)s3)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
KARS1 Q15046 11/20 0.47
SYK P43405 1/20 0.46
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CCNT1 O60563 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK7 P50613 1/20 0.42
CDK9 P50750 1/20 0.42
CCNH P51946 1/20 0.42
MAP3K12 Q12852 2/20 0.42
HTR2C P28335 1/20 0.41

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
SCHEMBL13136608 0.90 KARS1 (0.47) KARS1SYKMAP3K12
SCHEMBL2868322 0.89 KARS1 (0.56) KARS1SYKMAP3K12
SCHEMBL13136599 0.88 KARS1 (0.49) KARS1SYKMAP3K12
SCHEMBL13136661 0.86 SYK (0.51) KARS1SYKMAP3K12
SCHEMBL13136658 0.84 SYK (0.48) KARS1SYKMAP3K12
SCHEMBL2864883 0.82 KARS1 (0.56) RAB9ANPC1ALDH1A1MAPTKARS1
SCHEMBL13136552 0.82 KARS1 (0.56) RAB9ANPC1KARS1SYKKDM4E
SCHEMBL13177725 0.81 SYK (0.48) KARS1SYKMAP3K12
SCHEMBL2869562 0.81 KARS1 (0.55) RAB9ANPC1ALDH1A1MAPTKARS1
SCHEMBL13136551 0.80 KARS1 (0.54) RAB9ANPC1KARS1SYKKDM4E

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-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed
US-7803801-B2 Aminopyridine compounds having Syk inhibitory activity JAPAN TOBACCO, INC. (JP) 2010-09-28 US disclosed