SCHEMBL2302720

SCHEMBL2302720

O=C(O)CC(Cc1nc2cc(Cl)ccc2[nH]1)c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 9/20 0.65
TDP1 Q9NUW8 1/20 0.41
PNP P00491 2/20 0.41
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40
PIN1 Q13526 2/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
NTRK1 P04629 1/20 0.40
NTRK2 Q16620 1/20 0.40
PTGFR P43088 1/20 0.40

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
Hydrochloric Acid SCHEMBL657559 0.99 PRKCZ (0.64) PRKCZTDP1PNPKDM4ERAB9A
SCHEMBL2304297 0.93 PRKCZ (0.68) PRKCZKDM4ERAB9APIN1PRKAG1
Hydrochloric Acid SCHEMBL657315 0.92 PRKCZ (0.67) PRKCZKDM4ERAB9APIN1PRKAG1
SCHEMBL2302390 0.91 PRKCZ (0.66) PRKCZPNPPIN1PRKAG1PRKAA2
SCHEMBL2302726 0.91 PRKCZ (0.78) PRKCZTDP1RAB9APIN1
Hydrochloric Acid SCHEMBL657205 0.91 PRKCZ (0.65) PRKCZPNPKDM4ERAB9APIN1
SCHEMBL659483 0.90 PRKCZ (0.72) PRKCZTDP1KDM4ERAB9APIN1
Hydrochloric Acid SCHEMBL657199 0.88 PRKCZ (0.71) PRKCZTDP1KDM4ERAB9APIN1
SCHEMBL2303594 0.88 PRKCZ (0.64) PRKCZKDM4ERAB9APIN1
SCHEMBL2303912 0.88 PRKCZ (0.84) PRKCZTDP1KDM4ERAB9APIN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP claimed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO claimed
EP-2349999-A1 ALLOSTERIC PROTEIN KINASE MODULATORS Universität des Saarlandes (DE) 2011-08-03 EP disclosed
WO-2010043711-A1 ALLOSTERIC PROTEIN KINASE MODULATORS UNIVERSITAET DES SAARLANDES (DE) 2010-04-22 WO disclosed