SCHEMBL30603710

SCHEMBL30603710

CC(C)c1nn(C)c2ncc(-c3ccnc(Cl)n3)cc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ MAPK8 P45983 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ AAK1 Q2M2I8 4/20 0.31

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
SCHEMBL26136740 1.00 GSK3B (0.38) GSK3BMAPK8CCNT1CCNCCDK2
SCHEMBL30603673 0.78 CDK9 (0.39) GSK3BCCNT1CCNCCDK2CDK8
SCHEMBL26126669 0.78 CDK9 (0.39) GSK3BCCNT1CCNCCDK2CDK8
SCHEMBL26585432 0.77 CDK2 (0.50) GSK3BMAPK8CCNT1CCNCCDK2
SCHEMBL28630183 0.77 GSK3B (0.34) GSK3BCCNT1CDK2CDK9
SCHEMBL20610655 0.74 EGFR (0.42) GSK3BAAK1
SCHEMBL17059337 0.74 APP (0.49) —
SCHEMBL30893152 0.74 CCNT1 (0.47) GSK3BMAPK8CCNT1CCNCCDK2
SCHEMBL20610658 0.73 BRD4 (0.36) GSK3BAAK1
Hydrochloric Acid SCHEMBL30603712 0.73 CCNT1 (0.46) GSK3BMAPK8CCNT1CCNCCDK2

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-4504709-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2025-02-12 — — EP disclosed
CN-119137103-A CDK9 inhibitors 拜奥列司治疗有限公司 2024-12-13 — — CN disclosed
WO-2023196518-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 — — WO disclosed
Send feedback