SCHEMBL10327145

SCHEMBL10327145

CSc1nc(N)nc(N[C@@H](CCCCN(C)C)C(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ TRPV4 Q9HBA0 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ SYK P43405 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ LMNA P02545 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LCK P06239 1/20 0.38
▸ MET P08581 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ MEF2D Q14814 1/20 0.37
▸ PSMB1 P20618 1/20 0.36

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
SCHEMBL10180630 0.90 SMN1; SMN2 (0.44) KDM4ETRPV4SMN1; SMN2SYKRXFP1
SCHEMBL10327185 0.88 TRPV4 (0.41) KDM4ETRPV4SMN1; SMN2TP53LMNA
SCHEMBL10327383 0.86 KDM4E (0.42) KDM4ETRPV4SMN1; SMN2SYKRXFP1
SCHEMBL10327352 0.84 TRPV4 (0.41) KDM4ETRPV4SMN1; SMN2RXFP1LMNA
SCHEMBL10327259 0.83 TRPV4 (0.49) TRPV4LMNAKMT2A
SCHEMBL10327543 0.83 HDAC4 (0.37) TRPV4SMN1; SMN2TP53ALDH1A1MEN1
SCHEMBL10327123 0.83 TRPV4 (0.39) KDM4ETRPV4SMN1; SMN2RXFP1ALDH1A1
SCHEMBL10327476 0.82 SMN1; SMN2 (0.45) KDM4ESMN1; SMN2TP53LMNAGAA
SCHEMBL3459376 0.81 SMN1; SMN2 (0.46) KDM4ETRPV4SMN1; SMN2SYKRXFP1
SCHEMBL964825 0.81 SMN1; SMN2 (0.46) KDM4ETRPV4SMN1; SMN2SYKRXFP1

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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