SCHEMBL29675181

SCHEMBL29675181

Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc(N)c(F)c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 12/20 0.72
DDR2 Q16832 12/20 0.72
KIT P10721 7/20 0.72
ABL1 P00519 8/20 0.72
SRC P12931 1/20 0.67
NTRK1 P04629 1/20 0.66
NTRK3 Q16288 1/20 0.66
NTRK2 Q16620 1/20 0.66
RET P07949 2/20 0.65
BCR P11274 1/20 0.61

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
SCHEMBL24626004 1.00 DDR1 (0.72) DDR1DDR2KITABL1SRC
SCHEMBL2969932 0.92 DDR1 (0.84) DDR1DDR2KITABL1SRC
SCHEMBL29675215 0.87 ABL1 (0.65) DDR1DDR2KITABL1SRC
SCHEMBL24626405 0.87 ABL1 (0.65) DDR1DDR2KITABL1SRC
SCHEMBL2964721 0.87 DDR1 (0.85) DDR1DDR2KITABL1SRC
SCHEMBL2966026 0.87 DDR2 (0.72) DDR1DDR2KITABL1SRC
SCHEMBL2962061 0.87 DDR1 (0.82) DDR1DDR2KITABL1SRC
SCHEMBL3570799 0.86 DDR1 (0.73) DDR1DDR2KITABL1SRC
SCHEMBL2966517 0.86 DDR1 (0.76) DDR1DDR2KITABL1SRC
SCHEMBL2977057 0.85 DDR1 (0.72) DDR1DDR2KITABL1SRC

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
WO-2022149855-A1 HETEROARYL-ETHYNYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-07-14 WO claimed
WO-2022149855-A1 HETEROARYL-ETHYNYL DERIVATIVE COMPOUND AND USE THEREOF 주식회사 비투에스바이오 2022-07-14 WO disclosed