SCHEMBL19983939

SCHEMBL19983939

Cc1cc(OC(F)(F)F)ccc1Nc1ccc2c(C(=O)N(C)C)cn(Sc3cccnc3)c2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 6/20 0.37
KDR P35968 2/20 0.37
P2RX7 Q99572 5/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KIT P10721 2/20 0.35
MAT2A P31153 1/20 0.34
OPRM1 P35372 1/20 0.34
KCNH2 Q12809 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PIK3CA P42336 1/20 0.33
PRKDC P78527 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL16618694 0.83 LMNA (0.40) ABL1KDRP2RX7NPC1RAB9A
SCHEMBL19983961 0.83 DHODH (0.37) KDRKCNH2
SCHEMBL19984191 0.81 CYP3A4 (0.40) KDRKITGPBAR1
SCHEMBL16619188 0.75 LMNA (0.40) ABL1KDRNPC1RAB9A
SCHEMBL19984007 0.74 MAT2A (0.34) ABL1KDRP2RX7NPC1RAB9A
SCHEMBL16618640 0.74 LMNA (0.41) ABL1KDR
SCHEMBL19984203 0.73 ABL1 (0.35) ABL1KDRP2RX7NPC1RAB9A
SCHEMBL17971588 0.73 LMNA (0.42)
SCHEMBL19983965 0.72 LRRK2 (0.33) ABL1
SCHEMBL19984154 0.69 P2RX7 (0.34) P2RX7

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed