SCHEMBL6250271

SCHEMBL6250271

Cc1ccc(-c2cn(C(C)(C)C)c(N)c2C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
ALDH1A1 P00352 9/20 0.42
HPGD P15428 7/20 0.42
KDM4E B2RXH2 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
GAA P10253 4/20 0.42
ADORA2A P29274 2/20 0.42
ADORA1 P30542 2/20 0.42
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPT P10636 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HTT P42858 2/20 0.39
PKM P14618 1/20 0.39
ALOX12 P18054 1/20 0.39
RXFP1 Q9HBX9 2/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37

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
SCHEMBL3715556 0.87 CA12 (0.50) SRCALDH1A1HPGDKDM4EMEN1
SCHEMBL7009014 0.87 CA12 (0.36) SRCALDH1A1HPGDKDM4EMEN1
SCHEMBL7005305 0.87 ALDH1A1 (0.44) SRCALDH1A1HPGDKDM4EMEN1
SCHEMBL6862112 0.81 LCK (0.53) SRCALDH1A1KDM4EMEN1KMT2A
SCHEMBL8508548 0.81 LCK (0.53) SRCALDH1A1HPGDKDM4EMEN1
SCHEMBL20162762 0.73 CA12 (0.46) SRCALDH1A1HPGDKDM4EMEN1
SCHEMBL7008786 0.70 ALDH1A1 (0.37) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL8308145 0.69 HPGD (0.49) SRCALDH1A1HPGDKDM4EMEN1
SCHEMBL9043080 0.67 KDM4E (0.44) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL7008096 0.66 POLB (0.46) SRCALDH1A1HPGDKDM4EMEN1

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-2005044181-A2 PROTECTION OF TISSUES AND CELLS FROM CYTOTOXIC EFFECTS OF IONIZING RADIATION BY ABL INHIBITORS TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2005-05-19 WO disclosed