SCHEMBL18937020

SCHEMBL18937020

N#CCc1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.45
▸ PARP10 Q53GL7 6/20 0.39
▸ PARP11 Q9NR21 6/20 0.39
▸ PRF1 P14222 2/20 0.38
▸ ATR Q13535 4/20 0.38
▸ CDK4 P11802 2/20 0.37
▸ CCND1 P24385 2/20 0.37
▸ CCND3 P30281 2/20 0.37
▸ CDK6 Q00534 2/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CCNA2 P20248 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ CDK7 P50613 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CCNH P51946 1/20 0.37
▸ MNAT1 P51948 1/20 0.37
▸ EED O75530 1/20 0.37
▸ RBBP4 Q09028 1/20 0.37
▸ SUZ12 Q15022 1/20 0.37
▸ EZH2 Q15910 1/20 0.37

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
SCHEMBL12495603 0.83 MAPK1 (0.48) MAPK1PARP10PARP11ATRCDK4
SCHEMBL12495994 0.82 MAPK1 (0.42) MAPK1PARP10PARP11PRF1CDK4
SCHEMBL12495496 0.81 MAPK1 (0.44) MAPK1PARP10PARP11ATRCDK4
SCHEMBL27946388 0.80 MAPK1 (0.49) MAPK1PARP10PARP11PRF1CDK4
SCHEMBL12495503 0.79 FEN1 (0.44) MAPK1PARP10PARP11ATRCDK4
SCHEMBL12495613 0.78 MAPK1 (0.48) MAPK1PARP10PARP11CDK4CCND1
SCHEMBL12077344 0.78 MAPK1 (0.44) MAPK1PARP10PARP11PRF1ATR
SCHEMBL12077111 0.78 MAPK1 (0.44) MAPK1PARP10PARP11ATRCDK4
SCHEMBL12495198 0.76 MAPK1 (0.47) MAPK1PARP10PARP11PRF1ATR
SCHEMBL12077536 0.76 MAP4K4 (0.45) MAPK1PARP10PARP11PRF1CDK4

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
EP-2681206-B1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2017-06-14 — — EP disclosed
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