SCHEMBL18937023

SCHEMBL18937023

N#CC1(c2ccc(-c3cnc(N)c(-c4ccc5c(c4)CCNC5=O)n3)cc2)CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.49
▸ CDK4 P11802 2/20 0.38
▸ CCND1 P24385 2/20 0.38
▸ CCND3 P30281 2/20 0.38
▸ CDK6 Q00534 2/20 0.38
▸ CCNT1 O60563 1/20 0.38
▸ CCNA2 P20248 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ CDK7 P50613 1/20 0.38
▸ CDK9 P50750 1/20 0.38
▸ CCNH P51946 1/20 0.38
▸ MNAT1 P51948 1/20 0.38
▸ PARP10 Q53GL7 5/20 0.38
▸ PARP11 Q9NR21 5/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ EED O75530 1/20 0.35
▸ RBBP4 Q09028 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ EZH2 Q15910 1/20 0.35
▸ AEBP2 Q6ZN18 1/20 0.35

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
SCHEMBL12495515 0.96 MAPK1 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL12077344 0.94 MAPK1 (0.44) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL12077536 0.92 MAP4K4 (0.45) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL12076937 0.89 MAP4K4 (0.38) MAPK1MAP4K4ATRCHEK1
SCHEMBL18936998 0.87 MAPK1 (0.52) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL12495641 0.85 MAP4K4 (0.36) MAPK1MAP4K4MAPKAPK2ATRCHEK1
SCHEMBL18937009 0.84 MAPK1 (0.47) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL18937008 0.84 MAPK1 (0.47) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL18937007 0.84 MAPK1 (0.47) MAPK1CDK4CCND1CCND3CDK6
SCHEMBL12495678 0.83 MAP4K4 (0.38) MAPK1MAP4K4CYP11B2ATRCHEK1

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
Send feedback