SCHEMBL27349731

SCHEMBL27349731

CNc1c(C=N)cccc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 2/20 0.36
▸ GRIN3B O60391 2/20 0.36
▸ GRIN1 Q05586 2/20 0.36
▸ GRIN2A Q12879 2/20 0.36
▸ GRIN2B Q13224 2/20 0.36
▸ GRIN2C Q14957 2/20 0.36
▸ GRIN3A Q8TCU5 2/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ NFKB1 P19838 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ MAOB P27338 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL5544464 0.74 NFKB1 (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23695446 0.73 ALDH1A1 (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL883519 0.73 PTGS2 (0.44) HSD11B1HSD17B10PTPN1CYP3A4CYP1A2
SCHEMBL11664433 0.73 ALDH1A1 (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31122088 0.72 ALDH1A1 (0.38) HSD11B1HSD17B10SMN1; SMN2PTPN1MAPT
SCHEMBL17845460 0.72 ALDH1A1 (0.38) HSD11B1HSD17B10SMN1; SMN2PTPN1MAPT
SCHEMBL23099859 0.69 RAPGEF4 (0.33) HSD11B1CYP3A4CYP1A2ALDH1A1CYP2C19
SCHEMBL10347917 0.69 PTPN1 (0.44) HSD11B1HSD17B10PTPN1CYP3A4CYP1A2
SCHEMBL18754380 0.69 ENPP2 (0.31) —
SCHEMBL25658362 0.69 GABRA1 (0.38) LMNASMN1; SMN2HPGDCYP3A4CYP1A2

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-2023250165-A1 SALTS OF SOS1 INHIBITORS Mirati Therapeutics, Inc. (US) 2023-12-28 — — WO disclosed
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