SCHEMBL30367379

SCHEMBL30367379

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.48
SYK P43405 1/20 0.43
DOT1L Q8TEK3 1/20 0.42
AIMP2 Q13155 1/20 0.42
IGF1R P08069 5/20 0.41
CDK2 P24941 2/20 0.41
KDR P35968 2/20 0.41
INSR P06213 1/20 0.41
MET P08581 1/20 0.41
TEK Q02763 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHB4 P54760 1/20 0.40
GALR2 O43603 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
CDK4 P11802 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

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
SCHEMBL19477506 1.00 EGFR (0.48) EGFRSYKDOT1LAIMP2IGF1R
SCHEMBL19700631 0.89 SMN1; SMN2 (0.57) EGFRSYKCDK2SMN1; SMN2ACE2
SCHEMBL19700632 0.89 SMN1; SMN2 (0.57) EGFRSYKCDK2SMN1; SMN2ACE2
SCHEMBL21743299 0.89 SMN1; SMN2 (0.57) EGFRSYKCDK2SMN1; SMN2ACE2
SCHEMBL19476605 0.82 IGF1R (0.58) EGFRAIMP2IGF1RCDK2KDR
SCHEMBL30367686 0.81 EGFR (0.48) EGFRSYKDOT1LAIMP2IGF1R
SCHEMBL19476705 0.81 EGFR (0.48) EGFRSYKDOT1LAIMP2IGF1R
SCHEMBL30367474 0.73 HRH3 (0.46) EGFRSYKAIMP2IGF1RCDK2
SCHEMBL19461944 0.73 HRH3 (0.46) EGFRSYKAIMP2IGF1RCDK2
SCHEMBL19476675 0.73 HRH3 (0.52) EGFRSYKAIMP2IGF1RCDK2

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