SCHEMBL14628153

SCHEMBL14628153

CN(C)CCCNc1nc(CN2CCN(Cc3ccccc3N)CC2)nc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ KDM1A O60341 1/20 0.49
▸ EHMT2 Q96KQ7 1/20 0.49
▸ RAD52 P43351 4/20 0.48
▸ POLB P06746 3/20 0.48
▸ TOP2A P11388 2/20 0.47
▸ 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
▸ FLT3 P36888 9/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ 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
SCHEMBL13158864 0.89 KDM1A (0.52) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585309 0.88 POLB (0.53) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14628299 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585298 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585339 0.88 ALDH1A1 (0.51) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL4631081 0.87 KDM1A (0.63) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585779 0.87 ALDH1A1 (0.56) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585301 0.87 FLT3 (0.52) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14585324 0.87 FLT3 (0.49) ALDH1A1MAPK1KDM1AEHMT2RAD52
SCHEMBL14628155 0.86 KDM1A (0.58) ALDH1A1MAPK1KDM1AEHMT2RAD52

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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