SCHEMBL30083549

SCHEMBL30083549

Clc1cc(NCc2ccc(-c3ccccc3)cn2)n2ncc(C3CC3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.43
▸ MAPT P10636 7/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ CDK2 P24941 5/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CCNE2 O96020 1/20 0.41
▸ CCNA2 P20248 1/20 0.41
▸ CCNA1 P78396 1/20 0.41
▸ KCNN3 Q9UGI6 2/20 0.39
▸ KCNN1 Q92952 1/20 0.39
▸ KCNN2 Q9H2S1 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GSK3B P49841 3/20 0.36
▸ ADAM17 P78536 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL30083485 0.89 KDM4E (0.47) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL30872083 0.88 KCNN3 (0.49) RAB9ANPC1KMT2ACDK2CCNE1
SCHEMBL30872090 0.83 KCNN3 (0.38) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL30872099 0.82 KCNN3 (0.39) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL24792833 0.82 CDK2 (0.57) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL23530939 0.82 KDM4E (0.38) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL30083401 0.82 GSK3B (0.45) RAB9ANPC1KMT2ACDK2CCNE1
SCHEMBL30083523 0.79 KCNN3 (0.44) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL30083382 0.79 GPR39 (0.48) KDM4EMAPTRAB9ANPC1KMT2A
SCHEMBL24792804 0.78 CDK7 (0.60) KDM4EMAPTRAB9ANPC1KMT2A

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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