SCHEMBL2857586

SCHEMBL2857586

O=C(Nc1ccccc1OC(F)(F)F)Oc1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.39
EGFR P00533 2/20 0.38
FGFR1 P11362 2/20 0.38
KDR P35968 2/20 0.38
KDM4E B2RXH2 4/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
P2RY1 P47900 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAMPT P43490 1/20 0.36
AURKA O14965 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 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
SCHEMBL2854678 0.90 ATR (0.40) ATREGFRFGFR1KDRKDM4E
SCHEMBL2852387 0.86 P2RX7 (0.37) ATRKDRKDM4EGAAP2RY1
SCHEMBL2850763 0.85 MAPT (0.48) ATRKDM4EGAAALDH1A1P2RY1
SCHEMBL2850389 0.84 NPY5R (0.40) KDM4EGAAALDH1A1TSHRNPC1
SCHEMBL2852605 0.83 HPGD (0.37) KDM4EGAAALDH1A1USP2TSHR
SCHEMBL2858606 0.83 P2RY1 (0.47) KDM4EGAAALDH1A1P2RY1SMN1; SMN2
SCHEMBL2854611 0.82 TRPV1 (0.41) KDM4EGAASMN1; SMN2NPC1TP53
SCHEMBL2855775 0.82 P2RY1 (0.44) KDM4EGAAALDH1A1P2RY1SMN1; SMN2
SCHEMBL2862979 0.79 TRPV1 (0.44) KDM4EGAAP2RY1SMN1; SMN2SLC11A2
SCHEMBL2854810 0.79 KMT2A (0.46) KDM4EGAAALDH1A1HSD17B10P2RY1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed