SCHEMBL5019753

SCHEMBL5019753

CC1=C(c2cnc(C(=O)Nc3c(F)cccc3F)cn2)CN(c2nnn(C)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ KMT2A Q03164 1/20 0.35
▸ MAP3K5 Q99683 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPY5R Q15761 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 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
SCHEMBL5019741 0.88 CRACR2A (0.38) SMN1; SMN2KMT2AMAP3K5RAB9AMAPT
SCHEMBL3825366 0.84 IL2 (0.44) IL2NPC1KMT2AMAP3K5RAB9A
SCHEMBL17375135 0.83 GRM5 (0.38) SMN1; SMN2NPC1KMT2ARAB9ANPY5R
SCHEMBL3824488 0.83 IL2 (0.42) IL2KMT2AALDH1A1MAPTHTR1F
SCHEMBL5019579 0.82 KMT2A (0.39) IL2SMN1; SMN2NPC1KMT2AMAP3K5
SCHEMBL5019603 0.82 KMT2A (0.39) IL2SMN1; SMN2NPC1KMT2AMAP3K5
SCHEMBL5019608 0.82 TP53 (0.39) SMN1; SMN2NPC1KMT2AALDH1A1RAB9A
SCHEMBL3826508 0.82 KMT2A (0.47) SMN1; SMN2NPC1KMT2AMAP3K5ALDH1A1
SCHEMBL8186422 0.82 IL2 (0.40) IL2NPC1KMT2AMAP3K5RAB9A
SCHEMBL12650398 0.81 IL2 (0.40) IL2NPC1KMT2AMAP3K5RAB9A

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-2012064808-A1 TETRAZOLYL - TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE - RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2012-05-18 — — WO disclosed
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