SCHEMBL22754641

SCHEMBL22754641

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.54
CDK8 P49336 2/20 0.54
MAPT P10636 3/20 0.45
MAPK14 Q16539 3/20 0.44
KDR P35968 6/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
RAF1 P04049 5/20 0.43
EPHX2 P34913 2/20 0.43
PARP1 P09874 1/20 0.43
BRAF P15056 3/20 0.42
PLK4 O00444 2/20 0.42
AURKA O14965 2/20 0.42
MAPK13 O15264 2/20 0.42
MAP4K4 O95819 2/20 0.42
ABL1 P00519 2/20 0.42

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
SCHEMBL14009092 0.83 CCNC (0.56) CCNCCDK8MAPTMAPK14KDR
SCHEMBL20118148 0.77 PARP1 (0.52) CCNCCDK8MAPTMAPK14KDR
SCHEMBL13300975 0.76 KDR (0.76) CCNCCDK8MAPK14KDRMEN1
SCHEMBL22754686 0.72 CCNC (0.50) CCNCCDK8MAPTMAPK14KDR
SCHEMBL14792981 0.72 PARP1 (0.52) KDRPARP1MAP3K20CSF1RPDGFRB
SCHEMBL171414 0.72 LOXL2 (0.53) KDRPARP1CSF1RRIPK1
SCHEMBL26075639 0.71 TEK (0.50) MAPK14KDRRAB9ARAF1BRAF
SCHEMBL2642931 0.71 PARP1 (0.50) MAPK14KDRRAF1EPHX2PARP1
SCHEMBL24975884 0.71 CCNC (1.00) CCNCCDK8MAPTMAPK14SAE1
SCHEMBL169192 0.71 KMT2A (0.54) MAPK14KDRKMT2APARP1BRAF

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