SCHEMBL1289551

SCHEMBL1289551

COc1ccc2[nH]c(-c3nc(NCCCN(C)C)c4cc(OC)ccc4n3)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.56
▸ POLB P06746 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ FLT3 P36888 7/20 0.54
▸ TERT O14746 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ CNR2 P34972 1/20 0.46
▸ NQO1 P15559 1/20 0.46
▸ GSK3A P49840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ TP53 P04637 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL1289534 0.92 RAD52 (0.67) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289424 0.92 RAD52 (0.59) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4507613 0.91 RAD52 (0.69) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4509102 0.83 RAD52 (0.69) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289489 0.79 ALDH1A1 (0.65) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4502066 0.78 ALDH1A1 (0.67) RAD52POLBRXFP1FLT3TERT
SCHEMBL1687915 0.78 RAD52 (0.72) RAD52POLBRXFP1FLT3TERT
SCHEMBL12473328 0.77 KMT2A (0.42) FLT3CNR2GSK3BLMNACYP1A2
SCHEMBL1289455 0.77 RAD52 (0.59) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289391 0.77 RAD52 (0.59) RAD52POLBRXFP1FLT3TERT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012046207-A1 ANTI-PARASITIC SUBSTITUTED RING FUSED AZINE COMPOUNDS PARACO TECHNOLOGY LIMITED (NZ) 2012-04-12 — — WO disclosed
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