SCHEMBL30083507

SCHEMBL30083507

Fc1ccc(-c2ccc(CNc3cc(Cl)nc4c(C5CC5)cnn34)cc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR39 O43194 1/20 0.41
▸ CDK2 P24941 9/20 0.38
▸ GSK3B P49841 3/20 0.38
▸ KCNN3 Q9UGI6 2/20 0.37
▸ KCNN1 Q92952 1/20 0.37
▸ KCNN2 Q9H2S1 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ RET P07949 1/20 0.36
▸ MET P08581 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ PDGFRA P16234 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36

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
SCHEMBL30083401 0.87 GSK3B (0.45) CDK2GSK3BKCNN3KCNN1KCNN2
SCHEMBL30083382 0.86 GPR39 (0.48) GPR39CDK2GSK3BKCNN3KCNN1
SCHEMBL30872083 0.83 KCNN3 (0.49) CDK2GSK3BKCNN3KCNN1KCNN2
SCHEMBL30083599 0.83 GSK3B (0.40) CDK2GSK3BKCNN3KCNN1KCNN2
SCHEMBL24792823 0.83 CDK7 (0.55) GPR39CDK2GSK3BRETPIM1
SCHEMBL30083523 0.83 KCNN3 (0.44) GPR39CDK2GSK3BKCNN3KCNN1
SCHEMBL22413144 0.81 KCNN3 (0.48) CDK2GSK3BKCNN3KCNN1KCNN2
SCHEMBL30083621 0.80 KCNN3 (0.41) GPR39CDK2GSK3BKCNN3KCNN1
SCHEMBL30083450 0.80 KCNN3 (0.43) CDK2GSK3BKCNN3KCNN1KCNN2
SCHEMBL24792389 0.79 CDK7 (0.58) GPR39CDK2GSK3BCDK8P2RX3

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
CN-117940427-A Substituted pyrazolo [1,5-a ] pyrimidine-7-amine compounds as CDK inhibitors and therapeutic uses thereof 卡里克治疗有限公司 2024-04-26 — — CN disclosed
EP-4355426-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2024-04-24 — — EP disclosed
WO-2022263604-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE-7-AMINE COMPOUNDS AS CDK INHIBITORS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2022-12-22 — — WO disclosed
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