SCHEMBL1289424

SCHEMBL1289424

COc1ccc2nc(-c3cc4ccccc4[nH]3)nc(NCCCN(C)C)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.59
▸ POLB P06746 2/20 0.59
▸ RXFP1 Q9HBX9 1/20 0.59
▸ FLT3 P36888 6/20 0.53
▸ TERT O14746 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ KDM1A O60341 2/20 0.47
▸ EHMT2 Q96KQ7 2/20 0.47
▸ RCOR1 Q9UKL0 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ NQO1 P15559 1/20 0.47
▸ GSK3A P49840 1/20 0.47
▸ GSK3B P49841 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46

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
SCHEMBL1289551 0.92 RAD52 (0.56) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289534 0.89 RAD52 (0.67) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289489 0.88 ALDH1A1 (0.65) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4507613 0.88 RAD52 (0.69) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4509102 0.88 RAD52 (0.69) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4502066 0.87 ALDH1A1 (0.67) RAD52POLBRXFP1FLT3TERT
SCHEMBL1687915 0.82 RAD52 (0.72) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289455 0.81 RAD52 (0.59) RAD52POLBRXFP1FLT3TERT
SCHEMBL1289391 0.81 RAD52 (0.59) RAD52POLBRXFP1FLT3TERT
Hydrochloric Acid SCHEMBL4507791 0.80 RAD52 (0.61) 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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