SCHEMBL18613722

SCHEMBL18613722

COc1ccc(-c2cn3nc(NCC(C)C)sc3n2)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FYN P06241 3/20 0.62
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
F2RL3 Q96RI0 10/20 0.46
TP53 P04637 2/20 0.45
MAPT P10636 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1944678 0.89 FYN (0.51) FYNF2RL3TP53MAPTMEN1
SCHEMBL1943616 0.84 FYN (0.47) FYNNPC1RAB9AF2RL3TP53
SCHEMBL1650491 0.83 MAPT (0.53) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1943656 0.83 FYN (0.50) FYNNPC1RAB9AF2RL3TP53
SCHEMBL1946744 0.83 FYN (0.56) FYNNPC1RAB9AF2RL3MAPT
SCHEMBL1946328 0.82 TP53 (0.47) FYNNPC1RAB9AF2RL3TP53
SCHEMBL1945315 0.82 MAPT (0.53) FYNNPC1RAB9AF2RL3TP53
SCHEMBL1943707 0.82 FYN (0.64) FYNNPC1RAB9AF2RL3TP53
SCHEMBL1945978 0.81 FYN (0.47) FYNF2RL3TP53MAPT
SCHEMBL1946837 0.81 MKNK1 (0.57) NPC1RAB9AF2RL3TP53MAPT

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
EP-3347462-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS Lau, Warren C. (US) 2018-07-18 EP claimed
WO-2017044623-A1 METHODS, COMPOSITIONS, AND USES OF NOVEL FYN KINASE INHIBITORS LAU WARREN C (US) 2017-03-16 WO claimed