SCHEMBL30080652

SCHEMBL30080652

C#Cc1cc(C(=O)Nc2cc(CN3CCN(C)CC3)cc(C(F)(F)F)c2)ccc1C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KIT P10721 3/20 0.69
▸ ABL1 P00519 10/20 0.66
▸ DDR2 Q16832 14/20 0.65
▸ DDR1 Q08345 13/20 0.65
▸ NTRK1 P04629 2/20 0.65
▸ NTRK3 Q16288 2/20 0.65
▸ NTRK2 Q16620 2/20 0.65
▸ RET P07949 3/20 0.64
▸ SRC P12931 1/20 0.60
▸ BCR P11274 1/20 0.59

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
SCHEMBL2965773 1.00 KIT (0.69) KITABL1DDR2DDR1NTRK1
SCHEMBL22299749 0.88 KIT (0.65) KITABL1DDR2DDR1NTRK1
SCHEMBL22025455 0.86 DDR2 (0.65) KITABL1DDR2DDR1NTRK1
SCHEMBL2976022 0.86 KIT (0.68) KITABL1DDR2DDR1NTRK1
SCHEMBL16755297 0.85 KIT (0.70) KITABL1DDR2SRC
SCHEMBL22772380 0.84 DDR1 (0.67) KITABL1DDR2DDR1NTRK1
SCHEMBL2969932 0.84 DDR1 (0.84) KITABL1DDR2DDR1NTRK1
SCHEMBL2966026 0.84 DDR2 (0.72) KITABL1DDR2DDR1NTRK1
SCHEMBL2964721 0.83 DDR1 (0.85) KITABL1DDR2DDR1NTRK1
SCHEMBL2973073 0.83 KIT (0.77) KITABL1DDR2DDR1NTRK1

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-3246327-B1 3-ACETYLENYL-PYRAZOLE-PYRIMIDINE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USES THEREOF SI CHUAN UNIV (CN) 2022-11-23 — — EP disclosed
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