SCHEMBL14628129

SCHEMBL14628129

CN(C)CCCNc1nc(CN2CCN(C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.51
▸ EHMT2 Q96KQ7 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ TERT O14746 3/20 0.48
▸ RAD52 P43351 4/20 0.48
▸ POLB P06746 3/20 0.47
▸ TOP2A P11388 2/20 0.47
▸ FLT3 P36888 6/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ SLC2A1 P11166 1/20 0.46
▸ APOBEC3A P31941 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ APOBEC3G Q9HC16 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.45
▸ BCHE P06276 1/20 0.44
▸ ACHE P22303 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ ALOX15 P16050 1/20 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
SCHEMBL14585376 0.91 KDM1A (0.52) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585377 0.90 ALDH1A1 (0.52) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585523 0.88 KDM1A (0.49) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585528 0.88 FAAH (0.53) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585382 0.88 KDM1A (0.53) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585386 0.88 KDM1A (0.49) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585393 0.88 KDM1A (0.53) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14628079 0.87 KDM1A (0.49) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585526 0.87 KDM1A (0.48) KDM1AEHMT2ALDH1A1MAPK1TERT
SCHEMBL14585420 0.87 KDM1A (0.48) KDM1AEHMT2ALDH1A1MAPK1TERT

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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