SCHEMBL8401676

SCHEMBL8401676

CC(F)c1ncnc(NCCc2ccc(O)cc2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.57
HTT P42858 6/20 0.53
NR2F2 P24468 1/20 0.53
TTBK1 Q5TCY1 2/20 0.50
TTBK2 Q6IQ55 2/20 0.50
GALR3 O60755 2/20 0.45
AURKA O14965 1/20 0.42
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CCNB2 O95067 2/20 0.39
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39

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
SCHEMBL28088114 0.91 RAB9A (0.59) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL15684744 0.90 RAB9A (0.57) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL9037270 0.88 GALR3 (0.59) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL8485751 0.87 HTT (0.51) RAB9AHTTGALR3LMNASMN1; SMN2
SCHEMBL9037695 0.85 TP53 (0.51) RAB9AHTTGALR3AURKALMNA
SCHEMBL9039150 0.85 PDE2A (0.46) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL9039173 0.83 CNR1 (0.48) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL9036534 0.83 GALR3 (0.50) RAB9AHTTNR2F2TTBK1TTBK2
Flufenerim SCHEMBL26581 0.82 CYP3A4 (0.42) RAB9AHTTNR2F2TTBK1TTBK2
Flufenerim SCHEMBL29429245 0.82 CYP3A4 (0.42) RAB9AHTTNR2F2TTBK1TTBK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11158161-A None JP disclosed
JP-H11158161-A 4-PHENETHYLAMINOPYRIMIDINE DERIVATIVE, ITS PRODUCTION AND PEST-CONTROLLING AGENT FOR AGRICULTURE AND HORTICULTURE UBE IND LTD 1999-06-15 JP disclosed