SCHEMBL10370014

SCHEMBL10370014

Oc1ccc2[nH]nc(NCCCN3CCCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.43
▸ ACP1 P24666 1/20 0.41
▸ HTR7 P34969 1/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ PGK1 P00558 1/20 0.40
▸ WNT1 P04628 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ MAP2K7 O14733 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ KMT5A Q9NQR1 1/20 0.39
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL10368034 0.99 HRH3 (0.45) HRH3ACP1HTR7CDC7PGK1
SCHEMBL10368865 0.99 HRH3 (0.45) HRH3ACP1HTR7CDC7PGK1
SCHEMBL10371096 0.94 ACHE (0.44) HRH3MAP2K7KMT5AESR1ESR2
SCHEMBL10371678 0.90 CDC7 (0.51) ACP1CDC7WNT1DYRK1AKMT2A
SCHEMBL10371460 0.89 GSK3B (0.40) HTR7CDC7DYRK1AMAP2K7CDK2
SCHEMBL10367631 0.88 GSK3B (0.41) HTR7CDC7DYRK1AMAP2K7CDK2
SCHEMBL10368910 0.88 CYP2D6 (0.45) DYRK1ACDK2
SCHEMBL10368569 0.85 HRH3 (0.51) HRH3
SCHEMBL10371164 0.84 HRH3 (0.53) HRH3ACP1
SCHEMBL10369412 0.84 HRH3 (0.53) HRH3ACP1

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-0090972-B1 INDAZOLE DERIVATIVES Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1990-05-30 — — EP disclosed
US-4533731-A ANTIINFLAMMATORY AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-08-06 — — US disclosed
EP-0090972-A2 Indazole derivatives Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1983-10-12 — — EP disclosed
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