SCHEMBL30600608

SCHEMBL30600608

CN(C)c1ccnc(N2CCC(F)(F)CC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUV39H2 Q9H5I1 1/20 0.38
▸ ACACB O00763 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ CCR4 P51679 2/20 0.37
▸ ADRB1 P08588 1/20 0.36
▸ WHR1 P49842 2/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SORD Q00796 1/20 0.35
▸ KIF18A Q8NI77 2/20 0.34
▸ ACHE P22303 1/20 0.34
▸ RXRA P19793 1/20 0.34
▸ GRIN1 Q05586 1/20 0.34

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
SCHEMBL28106523 0.82 ACHE (0.43) SUV39H2ADRB1ACHE
SCHEMBL26646178 0.80 SORD (0.52) MAPK1HSD17B10SORD
SCHEMBL3110457 0.78 PIK3CA (0.50) CYP1A2TSHRMAPK1ACHE
SCHEMBL26684341 0.78 ACHE (0.55) SUV39H2ACACBCYP1A2CYP3A4HSD17B10
SCHEMBL22119525 0.76 OGA (0.44) ACACBTRPV3ADRB1ROCK2CYP3A4
SCHEMBL30600618 0.76 OGA (0.48) ACACBWHR1
SCHEMBL29367680 0.74 ADRB1 (0.47) ACACBTRPV3ADRB1SORDKIF18A
SCHEMBL20746494 0.73 TRPV3 (0.42) ACACBTRPV3ADRB1ROCK2SORD
SCHEMBL30079990 0.73 CYP3A4 (0.56) CYP1A2CYP3A4TSHRHSD17B10
SCHEMBL31346934 0.72 RBP4 (0.45) ACACBROCK2CYP1A2CYP3A4MAPK1

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-2023217232-A1 KINESIN KIF18A INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-11-16 — — WO disclosed
Send feedback