SCHEMBL6923773

SCHEMBL6923773

CN1CCN(c2ccc(-c3cc(-c4cccc(C(=O)NCC#N)c4)no3)cc2Cl)CC1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 14/20 0.78
PAK1 Q13153 1/20 0.53
JAK2 O60674 1/20 0.43
KDM1A O60341 1/20 0.42
HDAC1 Q13547 1/20 0.42
CXCR1 P25024 1/20 0.42
PRKD3 O94806 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
WDR5 P61964 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
SCHEMBL6923791 0.89 PRKD1 (0.95) PRKD1JAK2KDM1AHDAC1
SCHEMBL936515 0.88 PRKD1 (1.00) PRKD1JAK2
SCHEMBL936478 0.87 PRKD1 (0.60) PRKD1PAK1JAK2KDM1AHDAC1
SCHEMBL935479 0.86 PRKD1 (0.79) PRKD1PAK1PRKD3PRKD2WDR5
SCHEMBL936000 0.84 PRKD1 (0.78) PRKD1PAK1JAK2PRKD3PRKD2
SCHEMBL6923549 0.84 PRKD1 (0.54) PRKD1PAK1CXCR1WDR5
SCHEMBL936340 0.83 PRKD1 (0.83) PRKD1PAK1
SCHEMBL961783 0.82 PRKD1 (0.60) PRKD1CXCR1PRKD3PRKD2WDR5
SCHEMBL961784 0.82 PRKD1 (0.60) PRKD1CXCR1PRKD3PRKD2WDR5
SCHEMBL958404 0.80 PRKD1 (0.85) PRKD1JAK2KDM1AHDAC1PRKD3

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
WO-2011009484-A1 ARYLPYRAZOLES AND ARYLISOXAZOLES AND THEIR USE AS PKD MODULATORS NOVARTIS AG (CH) 2011-01-27 WO disclosed