SCHEMBL28971866

SCHEMBL28971866

Cc1ccc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)cc1Cn1cccc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.62
▸ DDR2 Q16832 18/20 0.60
▸ DDR1 Q08345 17/20 0.60
▸ NTRK1 P04629 2/20 0.60
▸ NTRK3 Q16288 2/20 0.60
▸ NTRK2 Q16620 2/20 0.60
▸ KIT P10721 2/20 0.57
▸ BCR P11274 2/20 0.56
▸ RET P07949 1/20 0.55

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
SCHEMBL28971900 0.89 DDR1 (0.63) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL2976022 0.84 KIT (0.68) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL22025455 0.84 DDR2 (0.65) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL22065200 0.83 DDR2 (0.60) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL24070474 0.82 DDR2 (0.66) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL30080652 0.82 KIT (0.69) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL2965773 0.82 KIT (0.69) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL29864626 0.82 DDR2 (0.71) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL24070153 0.81 ABL1 (0.70) ABL1DDR2DDR1NTRK1NTRK3
SCHEMBL22065199 0.80 DDR1 (0.63) ABL1DDR2DDR1NTRK1NTRK3

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
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 — — CN claimed
CN-115697485-A Benzylamine derivatives as DDR inhibitors 奇斯药制品公司 2023-02-03 — — CN disclosed
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