SCHEMBL18638030

SCHEMBL18638030

O=C1NC2(CCCC2)Cn2c1cc1cnc(NC3CCC(O)CC3)nc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.45
▸ MAPK10 P53779 2/20 0.45
▸ MAPK9 P45984 2/20 0.45
▸ MAPK14 Q16539 2/20 0.42
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CDK2 P24941 12/20 0.39
▸ CCND1 P24385 11/20 0.39
▸ CCNE1 P24864 10/20 0.39
▸ CDK6 Q00534 8/20 0.39
▸ CDK4 P11802 3/20 0.38
▸ CCND2 P30279 1/20 0.38
▸ CCND3 P30281 1/20 0.38

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
SCHEMBL16074660 1.00 MAPK8 (0.45) MAPK8MAPK10MAPK9MAPK14GSK3A
SCHEMBL18637774 0.91 CCND1 (0.44) MAPK8CDK2CCND1CCNE1CDK6
SCHEMBL25950600 0.80 MAPK8 (0.46) MAPK8MAPK10MAPK9MAPK14CDK2
SCHEMBL18637985 0.80 MAPK8 (0.52) MAPK8MAPK10MAPK9MAPK14GSK3A
SCHEMBL15298054 0.80 MAPK8 (0.52) MAPK8MAPK10MAPK9MAPK14GSK3A
SCHEMBL15298252 0.79 CDK2 (0.56) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL18638036 0.79 CDK2 (0.56) CDK2CCND1CCNE1CDK6CDK4
SCHEMBL17540002 0.76 MAPK8 (0.52) MAPK8MAPK10MAPK9MAPK14GSK3A
SCHEMBL15298076 0.75 MAPK8 (0.47) MAPK8MAPK10MAPK9MAPK14GSK3A
SCHEMBL18638034 0.75 MAPK8 (0.47) MAPK8MAPK10MAPK9MAPK14GSK3A

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 3 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-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
Send feedback