SCHEMBL2855842

SCHEMBL2855842

CCCn1ncc2c(Nc3ccc(F)cc3)nc(-c3ccc(N)cc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.48
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
BCDIN3D Q7Z5W3 4/20 0.44
XDH P47989 1/20 0.44
PIK3CA P42336 1/20 0.42
MAPT P10636 1/20 0.42
GGPS1 O95749 1/20 0.42
KDM1A O60341 1/20 0.42

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
SCHEMBL2864782 0.86 MEN1 (0.53) HTR2CABL1BCRNPC1RAB9A
SCHEMBL2810178 0.81 GAA (0.56) HTR2CABL1BCRNPC1RAB9A
SCHEMBL2804510 0.80 NPC1 (0.47) HTR2CABL1BCRNPC1RAB9A
SCHEMBL2875609 0.75 HTR2C (0.67) HTR2CBCDIN3DPIK3CAMAPT
SCHEMBL2832666 0.74 SRC (0.59) HTR2CABL1MAPT
SCHEMBL2808009 0.71 HTR2C (0.60) HTR2C
SCHEMBL3185882 0.71 KDM4C (0.47) GGPS1
SCHEMBL2856614 0.71 PDE5A (0.55) PIK3CAMAPTGGPS1
SCHEMBL2785338 0.71 SRC (0.56) ABL1BCRNPC1RAB9A
SCHEMBL30782425 0.70 XDH (0.60) ABL1BCRNPC1RAB9AXDH

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed