SCHEMBL24528541

SCHEMBL24528541

COC(=O)c1ccc(C)c(C#Cc2cnc(N)nc2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.57
TEK Q02763 3/20 0.57
KDR P35968 2/20 0.57
CSF1R P07333 6/20 0.56
KIT P10721 9/20 0.52
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
DDR1 Q08345 6/20 0.46
DDR2 Q16832 1/20 0.44

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
SCHEMBL24528562 0.88 LCK (0.58) LCKTEKKDRCSF1RKIT
SCHEMBL24528502 0.87 CSF1R (0.51) LCKTEKKDRCSF1RKIT
SCHEMBL29760179 0.86 ABL1 (0.49) LCKTEKKDRCSF1RKIT
SCHEMBL24528563 0.86 ABL1 (0.49) LCKTEKKDRCSF1RKIT
SCHEMBL22529514 0.85 LCK (0.57) LCKTEKKDRCSF1RKIT
SCHEMBL31405382 0.81 TEK (0.43) LCKTEKKDRCSF1RKIT
SCHEMBL11298448 0.80 ABL1 (0.63) LCKTEKKDRCSF1RKIT
SCHEMBL24528528 0.80 ATM (0.52) KDRCSF1RKITABL1BCR
SCHEMBL22833769 0.79 CSF1R (0.68) CSF1RKITABL1DDR1
SCHEMBL27974670 0.77 KIT (0.76) KITDDR1DDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022129914-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed
WO-2022129913-A1 ALKYNE DERIVATIVES AS INHIBITORS OF C-ABL BENEVOLENTAI BIO LIMITED (GB) 2022-06-23 WO disclosed