SCHEMBL2785338

SCHEMBL2785338

CCCn1ncc2c(Nc3ccccc3)nc(Cl)nc21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 13/20 0.56
GAA P10253 1/20 0.54
KMT2A Q03164 2/20 0.52
HCK P08631 2/20 0.51
PIM1 P11309 2/20 0.51
ABL1 P00519 5/20 0.50
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
BCR P11274 1/20 0.47

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
SCHEMBL2810178 0.89 GAA (0.56) SRCGAAKMT2AABL1MEN1
SCHEMBL2858840 0.82 SRC (0.55) SRCHCKPIM1ABL1NPC1
SCHEMBL2852113 0.81 MAPT (0.53) SRCGAAKMT2AHCKPIM1
SCHEMBL2804593 0.80 ALDH1A1 (0.54) SRCGAAKMT2AHCKPIM1
SCHEMBL2786539 0.75 PDE1A (0.42) GAAKMT2AABL1CYP1A2CYP3A4
SCHEMBL2195032 0.75 HTR2C (0.57) KMT2AMEN1NPC1RAB9A
SCHEMBL25876283 0.74 PDE1A (0.44) NPC1RAB9A
SCHEMBL2832666 0.74 SRC (0.59) SRCHCKPIM1ABL1
SCHEMBL22587402 0.73 GAA (0.48) SRCGAAKMT2AABL1MEN1
SCHEMBL2856614 0.73 PDE5A (0.55) SRCKMT2AMEN1

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