SCHEMBL18637985

SCHEMBL18637985

O=C1NCCn2c1cc1cnc(NC3CCC(O)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 4/20 0.52
▸ MAPK10 P53779 2/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ CCND1 P24385 12/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ MAPK14 Q16539 2/20 0.45
▸ CCNE1 P24864 10/20 0.43
▸ CDK2 P24941 10/20 0.43
▸ CDK6 Q00534 10/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ GSK3A P49840 1/20 0.42
▸ GSK3B P49841 1/20 0.42

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
SCHEMBL15298054 1.00 MAPK8 (0.52) MAPK8MAPK10MAPK9CCND1CDK4
SCHEMBL18637767 0.89 CCND1 (0.53) MAPK8CCND1CDK4CCNE1CDK2
SCHEMBL22570031 0.88 CCND1 (0.50) MAPK8CCND1CDK4MAPK14CCNE1
SCHEMBL22570038 0.85 MAPK1 (0.53) MAPK8MAPK10MAPK9CCND1CDK4
SCHEMBL22570028 0.84 CDK4 (0.52) MAPK8MAPK10MAPK9CCND1CDK4
SCHEMBL17540002 0.82 MAPK8 (0.52) MAPK8MAPK10MAPK9CCND1MAPK14
SCHEMBL22570029 0.82 CDK4 (0.47) MAPK8MAPK10MAPK9CCND1CDK4
SCHEMBL19336266 0.81 CDK4 (0.51) CCND1CDK4CCNE1CDK2
SCHEMBL22570285 0.80 CCND1 (0.45) MAPK8CCND1CDK4CCNE1CDK2
SCHEMBL16074660 0.80 MAPK8 (0.45) MAPK8MAPK10MAPK9CCND1CDK4

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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