SCHEMBL8488253

SCHEMBL8488253

Cc1nc(N2CCC(N)CC2)nc2c(Nc3ccc(F)c(Cl)c3)ncnc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.56
ERBB2 P04626 5/20 0.56
MAPT P10636 1/20 0.56
KDR P35968 4/20 0.49
LCK P06239 1/20 0.49
HPGD P15428 1/20 0.49
HTT P42858 1/20 0.49
KHK P50053 1/20 0.45
CDK2 P24941 2/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
CSNK1D P48730 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
CDK5 Q00535 1/20 0.43
MAPKAPK3 Q16644 1/20 0.43
MAPK1 P28482 1/20 0.43
AURKA O14965 1/20 0.42
RPS6KB1 P23443 1/20 0.42
PAK4 O96013 1/20 0.41
CCNA2 P20248 1/20 0.41

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
SCHEMBL8484645 0.90 EGFR (0.56) EGFRERBB2MAPTKDRHPGD
SCHEMBL8486556 0.88 EGFR (0.53) EGFRERBB2MAPTKDRHPGD
SCHEMBL8317479 0.84 EGFR (0.73) EGFRERBB2MAPTKDRLCK
SCHEMBL6988633 0.81 EGFR (0.69) EGFRERBB2MAPTKDRLCK
SCHEMBL6993907 0.79 EGFR (0.67) EGFRERBB2MAPTKDRLCK
SCHEMBL8483340 0.79 EGFR (0.59) EGFRERBB2MAPTKDRLCK
SCHEMBL6997654 0.79 EGFR (0.69) EGFRERBB2MAPTKDRLCK
SCHEMBL8488129 0.78 EGFR (0.56) EGFRERBB2KDRMAPK1AURKA
SCHEMBL6991747 0.77 EGFR (0.71) EGFRERBB2MAPTKDRLCK
SCHEMBL8488224 0.77 EGFR (0.74) EGFRERBB2MAPTKDRHPGD

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
US-5977102-A INHIBITORY EFFECT ON SIGNAL TRANSDUCTION MEDIATED BY TYROSINE KINASES OR EPIDERMAL GROWTH FACTOR; ANTITUMOR,-CARCINOGENIC, -METASTASIS,-PROLIFERATION AGENTS AND -INFLAMMATORY AGENTS; PSORIASIS; ANGIOGENESIS INHIBITORS; IMMUNOLOGY; DR. KARL THOMAE GMBH (DE) 1999-11-02 US disclosed