SCHEMBL14628154

SCHEMBL14628154

CN(C)CCCNc1nc(CN2CCN(Cc3cccc(N)c3)CC2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 5/20 0.54
▸ EHMT2 Q96KQ7 3/20 0.54
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAD52 P43351 4/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ FLT3 P36888 5/20 0.46
▸ RCOR1 Q9UKL0 4/20 0.46
▸ POLB P06746 3/20 0.46
▸ TOP2A P11388 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ SLC2A1 P11166 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ TERT O14746 2/20 0.43

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
SCHEMBL4631081 0.90 KDM1A (0.63) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585335 0.90 KDM1A (0.54) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14628155 0.90 KDM1A (0.58) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585342 0.89 KDM1A (0.54) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14628243 0.89 KDM1A (0.54) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585311 0.89 KDM1A (0.56) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585299 0.89 KDM1A (0.54) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585303 0.88 RAD52 (0.54) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585340 0.87 KDM1A (0.52) KDM1AEHMT2ALDH1A1MAPK1RAD52
SCHEMBL14585316 0.87 KDM1A (0.53) KDM1AEHMT2ALDH1A1MAPK1RAD52

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-2007011623-A1 QUINAZOLINE DERIVATIVES USEFUL IN CANCER TREATMENT SCHERING CORPORATION (US) 2007-01-25 — — WO disclosed
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