SCHEMBL6923883

SCHEMBL6923883

N#CCNC(=O)c1cccc(-c2cc(-c3ccc(CNC4CCOCC4)cc3)on2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 12/20 1.00
PRKD3 O94806 1/20 0.78
PRKD2 Q9BZL6 1/20 0.78
ATM Q13315 1/20 0.44
ATR Q13535 1/20 0.44
JAK2 O60674 2/20 0.43
PRMT5 O14744 1/20 0.41
KDM1A O60341 1/20 0.40
HDAC1 Q13547 1/20 0.40
ROCK2 O75116 1/20 0.39
PRKCA P17252 1/20 0.39
GRK2 P25098 1/20 0.39
CCR2 P41597 1/20 0.38
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
JAK3 P52333 1/20 0.37

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
SCHEMBL936484 0.89 PRKD1 (0.80) PRKD1PRKD3PRKD2JAK2KDM1A
SCHEMBL936438 0.87 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6924103 0.87 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL936439 0.87 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL938258 0.87 PRKD1 (0.85) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6924074 0.86 PRKD1 (1.00) PRKD1PRKD3PRKD2ATMATR
SCHEMBL930875 0.86 PRKD1 (0.75) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6923240 0.85 PRKD1 (0.74) PRKD1PRKD3PRKD2JAK2ROCK2
SCHEMBL936479 0.85 PRKD1 (0.81) PRKD1PRKD3PRKD2ATMATR
SCHEMBL6923622 0.84 PRKD1 (0.80) PRKD1PRKD3PRKD2ATMATR

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