SCHEMBL11073593

SCHEMBL11073593

Nc1nc(-c2ccc(Cl)cc2)c(CCO)c2ncnn12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP1A2 P05177 3/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.36
▸ SRC P12931 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ ABL1 P00519 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ RIPK2 O43353 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ FYN P06241 1/20 0.36
▸ YES1 P07947 1/20 0.36

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
SCHEMBL9378832 0.87 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMAPK1EGLN2
SCHEMBL11062670 0.82 ADORA2A (0.36) ALDH1A1POLBCYP1A2MEN1KMT2A
SCHEMBL10706002 0.76 ALDH1A1 (0.36) ALDH1A1CYP1A2MAPK1TDP1EGLN2
SCHEMBL9381563 0.74 ADORA2A (0.35) ALDH1A1MAPK1EGLN2KDM4ESRC
SCHEMBL11060121 0.69 RAD52 (0.39) ALDH1A1POLBCYP1A2MEN1KMT2A
SCHEMBL11066372 0.69 SRC (0.38) ALDH1A1CYP1A2KMT2ATDP1EGLN2
Bemitradine SCHEMBL121173 0.69 KDM4E (0.36) ALDH1A1CYP1A2MEN1KMT2AMAPK1
SCHEMBL11070935 0.69 ADORA2A (0.35) ALDH1A1MEN1KMT2AMAPK1TDP1
SCHEMBL11151560 0.68 KDM5A (0.40) ALDH1A1MAPK1EGLN2KDM4ESRC
SCHEMBL11062890 0.68 EGLN1 (0.36) ALDH1A1POLBCYP1A2MAPK1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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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