SCHEMBL8812643

SCHEMBL8812643

Cc1c[nH]c(Sc2ccc(Nc3ncnc4ccc(O)cc34)cc2F)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.43
RAF1 P04049 6/20 0.42
BRAF P15056 6/20 0.42
EGFR P00533 7/20 0.42
ERBB2 P04626 1/20 0.42
DYRK1A Q13627 2/20 0.42
RET P07949 2/20 0.40
KIF5B P33176 2/20 0.40
KDR P35968 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RIPK2 O43353 1/20 0.40
NOD1 Q9Y239 1/20 0.40

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
SCHEMBL8811673 0.89 ALK (0.43) ALKRAF1BRAFEGFRERBB2
Hydrochloric Acid SCHEMBL8811457 0.84 HDAC3 (0.43) EGFRERBB2DYRK1AMAPT
SCHEMBL8811481 0.83 HDAC3 (0.46) EGFRERBB2DYRK1AMAPT
SCHEMBL8810511 0.83 HDAC3 (0.45) EGFRERBB2DYRK1AMAPT
SCHEMBL8308906 0.76 EGFR (0.46) ALKRAF1BRAFEGFRERBB2
SCHEMBL7763004 0.76 ALK (0.60) ALKRAF1BRAFEGFRERBB2
SCHEMBL8492361 0.74 EGFR (0.54) EGFRERBB2
SCHEMBL8810743 0.73 KDR (0.58) RAF1EGFRERBB2RETKIF5B
Hydrochloric Acid SCHEMBL8810248 0.72 KDR (0.57) RAF1EGFRERBB2RETKIF5B
SCHEMBL8490631 0.72 EGFR (0.55) EGFRERBB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed