SCHEMBL30083401

SCHEMBL30083401

Clc1cc(NCc2ccc(-c3ccccc3)nc2)n2ncc(C3CC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.45
▸ CDK2 P24941 9/20 0.44
▸ CCNE1 P24864 5/20 0.43
▸ KCNN1 Q92952 1/20 0.43
▸ KCNN2 Q9H2S1 1/20 0.43
▸ KCNN3 Q9UGI6 1/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CCNA2 P20248 2/20 0.41
▸ CCNA1 P78396 2/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ CHEK1 O14757 1/20 0.39

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
SCHEMBL30872083 0.89 KCNN3 (0.49) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL30083382 0.88 GPR39 (0.48) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL30083507 0.87 GPR39 (0.41) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL30083523 0.82 KCNN3 (0.44) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL24791506 0.82 CDK2 (0.61) GSK3BCDK2CCNE1CCNA2CCNA1
SCHEMBL30083549 0.82 KDM4E (0.43) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL30083599 0.81 GSK3B (0.40) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL22413208 0.80 KCNN3 (0.58) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL30872099 0.80 KCNN3 (0.39) GSK3BCDK2CCNE1KCNN1KCNN2
SCHEMBL30083511 0.79 KCNN3 (0.42) GSK3BCDK2CCNE1KCNN1KCNN2

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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