SCHEMBL22754686

SCHEMBL22754686

C=C(NC)c1cc(Cc2ccc(NC(=O)Nc3ccc(C)c(C(C)(C)F)c3)cc2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.50
CDK8 P49336 2/20 0.50
KDR P35968 5/20 0.43
RAF1 P04049 6/20 0.42
BRAF P15056 3/20 0.42
MAPK14 Q16539 3/20 0.41
RET P07949 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ERBB2 P04626 2/20 0.41
MAPK11 Q15759 2/20 0.41
EPHX2 P34913 2/20 0.41
PLK4 O00444 2/20 0.41
AURKA O14965 2/20 0.41
MAPK13 O15264 2/20 0.41
MAP4K4 O95819 2/20 0.41
ABL1 P00519 2/20 0.41
LCK P06239 2/20 0.41
FYN P06241 2/20 0.41
LYN P07948 2/20 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
SCHEMBL22754650 0.90 KDR (0.43) CCNCCDK8KDRRAF1BRAF
SCHEMBL18808807 0.77 KDR (0.52) CCNCCDK8KDRRAF1BRAF
SCHEMBL13300975 0.74 KDR (0.76) CCNCCDK8KDRRAF1BRAF
SCHEMBL22754641 0.72 CCNC (0.54) CCNCCDK8KDRRAF1BRAF
SCHEMBL26547019 0.72 ALDH1A1 (0.40) KDRRAF1BRAFEPHX2PDGFRB
SCHEMBL14009092 0.72 CCNC (0.56) CCNCCDK8KDRRAF1BRAF
SCHEMBL19678074 0.71 SAE1 (0.56) CCNCCDK8KDRRAF1MEN1
SCHEMBL14793109 0.69 CYP3A4 (0.42) MAPK14CSF1RRIPK1
SCHEMBL17109651 0.69 RAF1 (0.82) CCNCCDK8KDRRAF1BRAF
SCHEMBL24975884 0.68 CCNC (1.00) CCNCCDK8RAF1MAPK14MEN1

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-3747433-A1 COMBINATION OF CELLULAR IMMUNOTHERAPY Carsgen Therapeutics Co., Ltd. (CN) 2020-12-09 EP disclosed