SCHEMBL24745795

SCHEMBL24745795

CCNC(=O)c1ccc(Nc2nc(Cl)cc3nc[nH]c(=O)c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.41
KDR P35968 1/20 0.38
AURKA O14965 1/20 0.38
HPGD P15428 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NAMPT P43490 1/20 0.37
ZAP70 P43403 1/20 0.37
RIPK1 Q13546 1/20 0.37
POLB P06746 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
MAP4K4 O95819 1/20 0.36
HPGDS O60760 1/20 0.36
CASP6 P55212 1/20 0.36

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
SCHEMBL29891348 0.88 TYK2 (0.42) TYK2ZAP70POLBHPGDS
SCHEMBL29891257 0.82 TYK2 (0.46) TYK2AURKAZAP70
SCHEMBL24745797 0.82 TYK2 (0.46) TYK2AURKAZAP70
SCHEMBL1059335 0.79 PARP1 (0.44) NPC1RAB9ASMN1; SMN2ZAP70PYGM
SCHEMBL1058535 0.78 PARP1 (0.49) KDRZAP70EGFRMAPT
SCHEMBL1057202 0.78 SYK (0.45) EGFR
SCHEMBL1057076 0.76 JAK1 (0.41) KDREGFRERBB2
SCHEMBL1059533 0.73 SYK (0.47) KDRAURKAZAP70EGFRMAP4K4
SCHEMBL24747221 0.73 TYK2 (0.76) TYK2KDRAURKAZAP70MAP4K4
SCHEMBL1056394 0.72 CDK1 (0.49) KMT2ANPC1RAB9ASMN1; SMN2MEN1

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-2022174253-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2022-08-18 WO disclosed