SCHEMBL1289534

SCHEMBL1289534

COc1ccc2[nH]c(-c3nc(NCCCN(C)C)c4ccccc4n3)cc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD52 P43351 3/20 0.67
▸ POLB P06746 2/20 0.67
▸ RXFP1 Q9HBX9 1/20 0.67
▸ FLT3 P36888 4/20 0.60
▸ MAPK1 P28482 4/20 0.58
▸ ALDH1A1 P00352 3/20 0.58
▸ TERT O14746 3/20 0.58
▸ KMT2A Q03164 3/20 0.54
▸ CYP1A2 P05177 5/20 0.52
▸ CYP3A4 P08684 5/20 0.52
▸ CYP2D6 P10635 5/20 0.52
▸ CYP2C19 P33261 5/20 0.52
▸ TP53 P04637 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ GLA P06280 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ USP2 O75604 3/20 0.51
▸ ALOX15 P16050 3/20 0.51

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
Hydrochloric Acid SCHEMBL4507613 0.99 RAD52 (0.69) RAD52POLBRXFP1FLT3MAPK1
SCHEMBL1289551 0.92 RAD52 (0.56) RAD52POLBRXFP1FLT3MAPK1
Hydrochloric Acid SCHEMBL4509102 0.91 RAD52 (0.69) RAD52POLBRXFP1FLT3MAPK1
SCHEMBL1289424 0.89 RAD52 (0.59) RAD52POLBRXFP1FLT3MAPK1
SCHEMBL1289489 0.88 ALDH1A1 (0.65) RAD52POLBRXFP1FLT3MAPK1
Hydrochloric Acid SCHEMBL4502066 0.87 ALDH1A1 (0.67) RAD52POLBRXFP1FLT3MAPK1
SCHEMBL10065462 0.80 RAD52 (0.68) RAD52POLBRXFP1FLT3MAPK1
SCHEMBL12473416 0.78 KDM4E (0.46) RAD52POLBRXFP1FLT3MAPK1
Hydrochloric Acid SCHEMBL4510200 0.77 RAD52 (0.68) RAD52POLBRXFP1FLT3MAPK1
SCHEMBL26639491 0.76 ALDH1A1 (0.69) RAD52POLBRXFP1FLT3MAPK1

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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