SCHEMBL11062890

SCHEMBL11062890

CNc1nc(-c2ccccc2)c(CCO)c2ncnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGLN1 Q9GZT9 2/20 0.36
▸ KDM4E B2RXH2 4/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ AXL P30530 2/20 0.35
▸ TYRO3 Q06418 2/20 0.35
▸ MERTK Q12866 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 1/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ TNK2 Q07912 1/20 0.34

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
SCHEMBL11073219 0.83 KDM4E (0.37) KDM4ESMN1; SMN2HPGDMERTKCYP1A2
SCHEMBL9378832 0.81 ALDH1A1 (0.36) EGLN1KDM4ESMN1; SMN2HPGDALDH1A1
SCHEMBL10706002 0.81 ALDH1A1 (0.36) EGLN1KDM4ESMN1; SMN2HPGDCYP1A2
SCHEMBL11065514 0.73 PKM (0.41) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11061056 0.70 MAPT (0.40) KDM4EHPGDCYP1A2CYP2C9CYP2C19
SCHEMBL11073593 0.68 ALDH1A1 (0.42) KDM4ESMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL9381563 0.68 ADORA2A (0.35) KDM4ESMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL11146963 0.68 PKM (0.47) KDM4ESMN1; SMN2HPGDALDH1A1POLB
SCHEMBL11070935 0.66 ADORA2A (0.35) KDM4EALDH1A1MAPK1MAPTTNK2
SCHEMBL10708265 0.66 KDM4E (0.38) KDM4ESMN1; SMN2HPGDMERTKCYP1A2

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
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US claimed
EP-0129247-A1 8-Substituted 7-phenyl-1,2,4-triazolo [2,3-c] pyrimidines-5-amines and amides G.D. Searle & Co. (US) 1984-12-27 — — EP disclosed
US-4483987-A 8-Substituted 7-phenyl-1,2,4-triazolo[2,3-c]pyrimidines-5-amines and amides G. D. SEARLE & CO. (US) 1984-11-20 — — US disclosed
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