SCHEMBL879564

SCHEMBL879564

c1cc(NCc2ccc3[nH]ccc3c2)nc(Nc2ccc3cc[nH]c3c2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
SYK P43405 3/20 0.48
JAK2 O60674 1/20 0.43
PLK4 O00444 1/20 0.43
HDAC1 Q13547 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDC7 O00311 1/20 0.41
WEE1 P30291 1/20 0.41
AURKA O14965 1/20 0.41
AURKB Q96GD4 1/20 0.41
IGF1R P08069 1/20 0.41
PAK4 O96013 1/20 0.41
PAK1 Q13153 1/20 0.41
ABL1 P00519 1/20 0.40
SRC P12931 1/20 0.40
BTK Q06187 1/20 0.40
ULK1 O75385 1/20 0.39
CSF1R P07333 2/20 0.39

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
SCHEMBL12185449 0.94 EGFR (0.54) EGFRSYKJAK2PLK4HDAC1
SCHEMBL12185447 0.90 PAK1 (0.44) EGFRHDAC1CCNT1CDK9PAK4
SCHEMBL12185464 0.90 PAK1 (0.44) EGFRHDAC1CCNT1CDK9PAK4
SCHEMBL3392875 0.87 NMT1 (0.44) EGFRHDAC1PAK4PAK1ABL1
SCHEMBL12185450 0.86 KDR (0.57) EGFRSYKJAK2PLK4CDK9
SCHEMBL12185480 0.86 EGFR (0.55) EGFRSYKHDAC1IGF1RPAK4
SCHEMBL12185296 0.86 EGFR (0.49) EGFRSYKJAK2ABL1SRC
SCHEMBL12185474 0.84 CCNT1 (0.46) SYKCCNT1CDK9PAK4PAK1
SCHEMBL6258964 0.81 SYK (0.47) EGFRSYKPLK4HRH3IGF1R
SCHEMBL12185751 0.80 EPHB4 (0.48) EGFRJAK2CCNT1CDK9CDC7

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
EP-2433636-A1 Treatment of Malignant Diseases Medizinische Universität Wien (AT) 2012-03-28 EP disclosed