SCHEMBL4435359

SCHEMBL4435359

C[C@@H]1CN(c2ccc(C(=O)O)cc2)C[C@H](C)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
APEX1 P27695 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 2/20 0.43
FGFR1 P11362 2/20 0.42
NTRK1 P04629 1/20 0.42
RET P07949 1/20 0.42
PDGFRB P09619 1/20 0.42
MARK3 P27448 1/20 0.42
TNK2 Q07912 1/20 0.42
DDR1 Q08345 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
SCHEMBL1665710 1.00 USP2 (0.58) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL24115187 0.86 NPC1 (0.51) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL7400655 0.85 CHRNA7 (0.47) USP2MAPTCA1FGFR1NTRK1
SCHEMBL17530499 0.85 CHRNA7 (0.47) USP2MAPTCA1FGFR1NTRK1
SCHEMBL1922775 0.82 USP2 (0.58) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL64018 0.82 ALDH1A1 (0.57) KDM4EALDH1A1KMT2ATDP1MEN1
SCHEMBL607498 0.79 USP2 (0.58) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL4440389 0.79 USP2 (0.58) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL4432207 0.79 USP2 (0.58) USP2KDM4EALDH1A1MAPTKMT2A
SCHEMBL20046603 0.79 GPR119 (0.42) USP2ALDH1A1CA12CA1CA9

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
EP-2125748-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed