SCHEMBL10604400

SCHEMBL10604400

Cc1nc(-c2ccc(N)c(C#N)c2)c[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ LRRK2 Q5S007 2/20 0.37
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ PRKACA P17612 2/20 0.36
▸ PRKACG P22612 2/20 0.36
▸ PRKACB P22694 2/20 0.36
▸ XDH P47989 1/20 0.36
▸ TBK1 Q9UHD2 1/20 0.35
▸ MCL1 Q07820 2/20 0.35
▸ CHUK O15111 3/20 0.35
▸ IKBKB O14920 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 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
SCHEMBL10607252 0.76 APP (0.38) PIM1PRKACAPRKACGPRKACBKDM4E
SCHEMBL7056928 0.76 KDM5B (0.39) PIM1PIM3PIM2CYP11B1CYP11B2
SCHEMBL3440335 0.76 GAA (0.51) CYP11B2NPC1ALDH1A1RAB9A
SCHEMBL5072719 0.74 TDP1 (0.48) CYP11B1CYP11B2PRKACAPRKACGPRKACB
SCHEMBL8010306 0.73 KEAP1 (0.41) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL10724516 0.72 CYP11B1 (0.31) LRRK2CYP11B1CYP11B2
SCHEMBL10724509 0.72 CYP11B1 (0.31) LRRK2CYP11B1CYP11B2
SCHEMBL17983446 0.72 ENPP3 (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8299041 0.72 IDO1 (0.53) LRRK2XDH
SCHEMBL14191689 0.72 TSHR (0.48) CYP11B1CYP11B2PRKACAPRKACGPRKACB

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-0131973-B1 NEW AMIDINE DERIVATIVES OF 2-SUBSTITUTED 4-PHENILIMIDAZOLE ISTITUTO DE ANGELI S.p.A. (IT) 1989-08-02 — — EP disclosed
US-4649150-A ANTISECRETORY AGENTS ISTITUTO DE ANGELI, S.P.A. (IT) 1987-03-10 — — US disclosed
EP-0131973-A1 New amidine derivatives of 2-substituted 4-phenilimidazole ISTITUTO DE ANGELI S.p.A. (IT) 1985-01-23 — — EP disclosed
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