SCHEMBL18638033

SCHEMBL18638033

CC1(C)CNC(=O)c2cc3cnc(NC4CCC(O)CC4)nc3n21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.53
▸ CCNE1 P24864 4/20 0.53
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ MAPK14 Q16539 2/20 0.44
▸ CCND1 P24385 15/20 0.43
▸ CDK4 P11802 14/20 0.43
▸ CDK6 Q00534 1/20 0.41

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
SCHEMBL15298151 1.00 CDK2 (0.53) CDK2CCNE1MAPK8MAPK9MAPK10
SCHEMBL18637773 0.90 CDK2 (0.55) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL18638036 0.86 CDK2 (0.56) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL15298252 0.86 CDK2 (0.56) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL17539998 0.82 MAPK8 (0.49) CDK2CCNE1MAPK8MAPK9MAPK10
SCHEMBL18638032 0.81 MAPK8 (0.45) CDK2CCNE1MAPK8MAPK9MAPK10
SCHEMBL15298054 0.79 MAPK8 (0.52) CDK2CCNE1MAPK8MAPK9MAPK10
SCHEMBL18637985 0.79 MAPK8 (0.52) CDK2CCNE1MAPK8MAPK9MAPK10
SCHEMBL18637894 0.76 CDK2 (0.61) CDK2CCNE1CCND1CDK4CDK6
SCHEMBL22570064 0.76 CDK2 (0.61) CDK2CCNE1CCND1CDK4CDK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216792-B1 LACTAM KINASE INHIBITORS G1 THERAPEUTICS INC (US) 2020-05-27 — — EP disclosed
EP-2968290-B1 TRANSIENT PROTECTION OF NORMAL CELLS DURING CHEMOTHERAPY G1 THERAPEUTICS INC (US) 2019-09-25 — — EP disclosed
EP-3216792-A1 LACTAM KINASE INHIBITORS Tavares, Francis Xavier (US) 2017-09-13 — — EP disclosed
EP-2831080-B1 LACTAM KINASE INHIBITORS TAVARES FRANCIS XAVIER (US) 2017-03-15 — — EP disclosed
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