SCHEMBL24671417

SCHEMBL24671417

CC(C)(C)OC(=O)N1CC=C(c2cnc(NC(=O)c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 9/20 0.47
GRM5 P41594 8/20 0.47
JAK1 P23458 1/20 0.46
SCN9A Q15858 1/20 0.45
CDK9 P50750 2/20 0.44
WNT3A P56704 1/20 0.44
PDK4 Q16654 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
NAMPT P43490 1/20 0.43
CCNT1 O60563 1/20 0.42
EED O75530 1/20 0.42
RBBP4 Q09028 1/20 0.42
SUZ12 Q15022 1/20 0.42
EZH2 Q15910 1/20 0.42

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
SCHEMBL29803582 1.00 GRM1 (0.47) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL29803476 0.88 NAMPT (0.49) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24669615 0.88 WNT3A (0.55) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24671581 0.87 JAK1 (0.45) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24671480 0.87 GRM1 (0.49) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL29803325 0.87 GRM1 (0.49) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24669498 0.86 CDK9 (0.35) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24669497 0.86 CDK9 (0.35) GRM1GRM5JAK1SCN9ACDK9
SCHEMBL24891690 0.86 GRM1 (0.49) GRM1GRM5JAK1SCN9AWNT3A
SCHEMBL24671578 0.85 WNT3A (0.47) GRM1GRM5JAK1SCN9ACDK9

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
WO-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 WO disclosed