SCHEMBL28088239

SCHEMBL28088239

Oc1ccc(CCNc2ncnc(C(F)(F)F)c2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.59
HTT P42858 7/20 0.57
NR2F2 P24468 1/20 0.57
TTBK1 Q5TCY1 2/20 0.51
TTBK2 Q6IQ55 2/20 0.51
GALR3 O60755 1/20 0.43
ULK1 O75385 1/20 0.43
AURKA O14965 1/20 0.43
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
EGFR P00533 1/20 0.38
APP P05067 1/20 0.38
MAPK1 P28482 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL15684868 0.80 RAB9A (0.63) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL28088114 0.79 RAB9A (0.59) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL9550930 0.79 LMNA (0.43) RAB9AHTTAURKALMNAMEN1
SCHEMBL17001478 0.78 SMN1; SMN2 (0.60) RAB9AHTTNR2F2GALR3LMNA
SCHEMBL8401676 0.78 RAB9A (0.57) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL16997385 0.77 PDE5A (0.53) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15684987 0.77 RAB9A (0.60) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL15684747 0.77 PLAAT3 (0.48) RAB9ALMNAKMT2AMAPK1
SCHEMBL15684744 0.75 RAB9A (0.57) RAB9AHTTNR2F2TTBK1TTBK2
SCHEMBL18733232 0.73 HTT (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105753791-A Substituted pyrimidine compound and use thereof 沈阳中化农药化工研发有限公司 2016-07-13 CN disclosed