SCHEMBL4441752

SCHEMBL4441752

CC1(C)CN(c2ccc(C(=O)O)s2)CCN1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GLA P06280 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HDAC3 O15379 5/20 0.38
▸ HDAC2 Q92769 5/20 0.38
▸ PRKCQ Q04759 1/20 0.37
▸ DAO P14920 4/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ PTGER1 P34995 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ LIG1 P18858 1/20 0.34
▸ RXRA P19793 2/20 0.33
▸ RXRB P28702 2/20 0.33
▸ RXRG P48443 2/20 0.33
▸ LATS1 O95835 1/20 0.33
▸ RARA P10276 1/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL82156 0.78 LATS1 (0.36) PRKCQHDAC1LATS1CSNK1E
SCHEMBL5226095 0.72 ALDH1A1 (0.46) KMT2AHDAC3HDAC2DAOPTGER1
SCHEMBL4438126 0.71 DAO (0.44) KMT2AL3MBTL1DAOPTGER1PKM
SCHEMBL5228374 0.71 KMT2A (0.49) KMT2AL3MBTL1DAOPTGER1PKM
SCHEMBL4441335 0.68 CHRNA7 (0.45) KMT2ADAOPKMLIG1
SCHEMBL4432653 0.68 DAO (0.41) GLAKMT2AL3MBTL1DAOPTGER1
SCHEMBL19035611 0.67 HTR3E (0.52) KMT2APRKCQHDAC1LATS1CSNK1E
SCHEMBL6274318 0.67 DAO (0.39) KMT2AHDAC3HDAC2DAOPTGER1
SCHEMBL4554523 0.67 CHKA (0.41) KMT2ADAOPTGER1PKMLIG1
SCHEMBL18096106 0.67 PRKCQ (0.42) L3MBTL1PRKCQHDAC1LATS1AURKA

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
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