SCHEMBL30367686

SCHEMBL30367686

CNc1ccnc(Nc2cccc(OCC(F)(F)CN3CCCC3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
IGF1R P08069 5/20 0.45
AURKA O14965 2/20 0.43
DOT1L Q8TEK3 1/20 0.42
AIMP2 Q13155 1/20 0.42
SCN9A Q15858 1/20 0.41
KDR P35968 2/20 0.41
INSR P06213 1/20 0.41
MET P08581 1/20 0.41
CDK2 P24941 1/20 0.41
TEK Q02763 1/20 0.41
SYK P43405 1/20 0.40
EPHB4 P54760 1/20 0.40
GALR2 O43603 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
MAP3K5 Q99683 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CG P48736 1/20 0.39

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
SCHEMBL19476705 1.00 EGFR (0.48) EGFRIGF1RAURKADOT1LAIMP2
SCHEMBL25612681 0.87 EGFR (0.44) EGFRIGF1RAURKADOT1LAIMP2
SCHEMBL19476605 0.82 IGF1R (0.58) EGFRIGF1RAIMP2KDRINSR
SCHEMBL30367379 0.81 EGFR (0.48) EGFRIGF1RDOT1LAIMP2KDR
SCHEMBL19477506 0.81 EGFR (0.48) EGFRIGF1RDOT1LAIMP2KDR
SCHEMBL19700631 0.79 SMN1; SMN2 (0.57) EGFRCDK2SYK
SCHEMBL21743299 0.79 SMN1; SMN2 (0.57) EGFRCDK2SYK
SCHEMBL19700632 0.79 SMN1; SMN2 (0.57) EGFRCDK2SYK
SCHEMBL19476675 0.73 HRH3 (0.52) EGFRIGF1RAIMP2KDRINSR
SCHEMBL30367474 0.71 HRH3 (0.46) EGFRIGF1RAURKAAIMP2KDR

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-3442947-B1 AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS EPIZYME INC (US) 2023-06-07 EP disclosed