SCHEMBL18638032

SCHEMBL18638032

CC1(C)CNC(O)c2cc3cnc(N[C@H]4CC[C@H](O)CC4)nc3n21

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 5/20 0.45
▸ MAPK10 P53779 3/20 0.45
▸ MAPK9 P45984 3/20 0.45
▸ GSK3A P49840 2/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ MAPK14 Q16539 2/20 0.42
▸ RIPK2 O43353 1/20 0.38
▸ CCND1 P24385 9/20 0.38
▸ CCNE1 P24864 8/20 0.38
▸ CDK2 P24941 8/20 0.38
▸ CDK6 Q00534 8/20 0.38
▸ JUN P05412 1/20 0.38
▸ CDK4 P11802 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
SCHEMBL15298151 0.81 CDK2 (0.53) MAPK8MAPK10MAPK9MAPK14CCND1
SCHEMBL18638033 0.81 CDK2 (0.53) MAPK8MAPK10MAPK9MAPK14CCND1
SCHEMBL20792918 0.77 MAPK8 (0.45) MAPK8MAPK10MAPK9GSK3AGSK3B
SCHEMBL17539998 0.74 MAPK8 (0.49) MAPK8MAPK10MAPK9GSK3AGSK3B
SCHEMBL20387853 0.72 CDK2 (0.68) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL18638036 0.71 CDK2 (0.56) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL15298252 0.71 CDK2 (0.56) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL18637773 0.70 CDK2 (0.55) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL22570125 0.69 KDM4E (0.40) CCND1CCNE1CDK2CDK6CDK4
SCHEMBL3305259 0.68 MAPK14 (0.62) MAPK8MAPK10MAPK9MAPK14CCND1

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-2831080-B1 LACTAM KINASE INHIBITORS TAVARES FRANCIS XAVIER (US) 2017-03-15 — — EP disclosed
Send feedback