SCHEMBL27809463

SCHEMBL27809463

c1cnc2nc(-c3ncc4[nH]cnc4n3)ncc2n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CDK2 P24941 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PAK1 Q13153 1/20 0.38
CCNT1 O60563 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CCNH P51946 1/20 0.34
POLA1 P09884 1/20 0.33
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL29452971 0.85 ALDH1A1 (0.63) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL29452981 0.81
SCHEMBL4875493 0.80 ALDH1A1 (0.53) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL680856 0.70 CDK2 (0.55) ALDH1A1KDM4ECDK2RXFP1GAA
SCHEMBL29906262 0.70 ALDH1A1 (0.54) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL9990576 0.70 ALDH1A1 (0.46) ALDH1A1KDM4ECDK2RXFP1PAK1
SCHEMBL4924100 0.70 KDM4E (0.48) ALDH1A1KDM4ECDK2HSD17B10
Purine SCHEMBL28067559 0.69 ALDH1A1 (0.37) ALDH1A1KDM4ECDK2RXFP1
SCHEMBL27695978 0.69 CDK2 (0.47) ALDH1A1KDM4ECDK2RXFP1
SCHEMBL6385068 0.69 QPCT (0.50) ALDH1A1KDM4ECDK2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102369218-A Anti-fcrh5 antibodies and immunoconjugates and methods of use GENENTECH INC 2012-03-07 CN disclosed
CN-101802013-A Humanized anti-CD 79B antibodies and immunoconjugates and methods of use GENENTECH INC 2010-08-11 CN disclosed
CN-101802012-A anti-CD 79B antibodies and immunoconjugates and methods of use GENENTECH INC 2010-08-11 CN disclosed