SCHEMBL13680647

SCHEMBL13680647

CNc1ncc(-c2cccc(C)c2)cn1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.67
DHFR P00374 1/20 0.44
EGFR P00533 1/20 0.43
IDO1 P14902 1/20 0.42
METAP2 P50579 1/20 0.42
HTR3A P46098 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
RAB9A P51151 2/20 0.41
GRM5 P41594 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
ADORA1 P30542 1/20 0.40
NPC1 O15118 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13680651 0.80 IDO1 (0.47) MAP4K4IDO1METAP2EGLN1RAB9A
SCHEMBL13680648 0.78 HSD17B10 (0.51) MAP4K4EGLN1ADORA1
SCHEMBL26262868 0.78 MAP4K4 (0.61) MAP4K4DHFRRAB9AGRM5ACHE
SCHEMBL20049894 0.77 MAP4K4 (0.45) MAP4K4IDO1METAP2EGLN1
SCHEMBL13040 0.77 MAP4K4 (0.66) MAP4K4IDO1METAP2RAB9AADORA1
SCHEMBL15344198 0.77 EGLN1 (0.47) MAP4K4IDO1METAP2EGLN1RAB9A
SCHEMBL13680657 0.76 FAAH (0.46) MAP4K4EGLN1HPGD
SCHEMBL13680652 0.76 RAB9A (0.63) IDO1METAP2RAB9ABCHEACHE
SCHEMBL31471473 0.74 ACHE (0.69) MAP4K4IDO1METAP2RAB9AACHE
SCHEMBL29373699 0.74 ACHE (0.69) MAP4K4IDO1METAP2RAB9AACHE

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed