SCHEMBL14065310

SCHEMBL14065310

Cc1[nH]c2ncnc(N3CCC(C(=O)Nc4cccc(Oc5ccc(F)cc5)c4)CC3)c2c1C

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LIMK2 P53671 11/20 0.68
LIMK1 P53667 3/20 0.52
F10 P00742 6/20 0.49
F2 P00734 1/20 0.48
ELANE P08246 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.48
KDR P35968 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
SCHEMBL14065257 0.87 LIMK2 (0.89) LIMK2
SCHEMBL14065314 0.86 LIMK2 (0.76) LIMK2F10F2ELANE
SCHEMBL14065311 0.84 LIMK2 (0.72) LIMK2F10F2ELANE
SCHEMBL14065313 0.84 LIMK2 (0.72) LIMK2F10F2ELANE
SCHEMBL14065267 0.82 LIMK2 (0.63) LIMK2F10F2ELANE
SCHEMBL14065319 0.82 LIMK2 (0.73) LIMK2F10F2ELANE
SCHEMBL14065263 0.82 LIMK2 (0.86) LIMK2
SCHEMBL14065317 0.82 LIMK2 (0.69) LIMK2LIMK1F10F2ELANE
SCHEMBL14065280 0.81 LIMK2 (0.90) LIMK2
SCHEMBL14065261 0.81 LIMK2 (1.00) LIMK2

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
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed
US-7423043-B2 4-Piperidin-1-yl-7H-pyrrolo[2,3-d]pyrimidine compounds LEXICON PHARMACEUTICALS, INC. (US) 2008-09-09 US disclosed