SCHEMBL255728

SCHEMBL255728

CCCc1cc(Nc2cc(Br)cn(C)c2=O)[nH]n1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ PSD A5PKW4 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ MAP2K1 Q02750 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
SCHEMBL173479 0.76 MAP2K1 (0.31) MAP2K1
SCHEMBL1392718 0.75 CCNA2 (0.44) CCNA2CDK2CCNA1
SCHEMBL1393057 0.73 AURKA (0.45) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL16650852 0.71 BRD4 (0.44) MAPTLMNAKDM4ESMN1; SMN2POLB
SCHEMBL1038553 0.70 IGF1R (0.38) —
SCHEMBL1394172 0.70 TNIK (0.32) MAP2K1
SCHEMBL13139728 0.69 KDM1A (0.32) MAPTLMNA
SCHEMBL14914695 0.68 BTK (0.34) —
SCHEMBL14925807 0.68 CCNA2 (0.44) CCNA2CDK2CCNA1
SCHEMBL10289556 0.68 IDO1 (0.40) MAPTKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012031004-A1 PYRIDINONES/PYRAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF GILEAD CONNECTICUT, INC. (US) 2012-03-08 — — WO disclosed
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