SCHEMBL9902071

SCHEMBL9902071

Cc1cccnc1CCSc1nc(NC(C)C[C@@H](C)CO)c2sc(=O)[nH]c2n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 20/20 0.54
CX3CR1 P49238 14/20 0.54
HTR1B P28222 1/20 0.49
CCR7 P32248 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
SCHEMBL4063461 0.85 CXCR2 (0.71) CXCR2CX3CR1HTR1BCCR7
SCHEMBL9905765 0.82 CXCR2 (0.49) CXCR2CX3CR1HTR1B
SCHEMBL9902066 0.77 CXCR2 (0.41) CXCR2CX3CR1HTR1B
SCHEMBL4114393 0.75 CXCR2 (0.69) CXCR2CX3CR1HTR1B
SCHEMBL4128383 0.73 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL4128377 0.73 CXCR2 (0.72) CXCR2CX3CR1
SCHEMBL842644 0.73 CXCR2 (0.71) CXCR2CX3CR1HTR1BCCR7
SCHEMBL841944 0.71 CXCR2 (1.00) CXCR2CX3CR1HTR1B
SCHEMBL841943 0.71 CXCR2 (1.00) CXCR2CX3CR1HTR1B
SCHEMBL841954 0.70 CXCR2 (0.98) CXCR2CX3CR1HTR1B

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
EP-2648754-A2 METHODS OF INHIBITING METASTASIS FROM CANCER Philadelphia Health and Education Corporation D/B/A (US) 2013-10-16 EP disclosed
WO-2012078633-A2 METHODS OF INHIBITING METASTASIS FROM CANCER PHILADELPHIA HEALTH AND EDUCATION CORPORATION, D/B/A DREXEL UNIVERSITY COLLEGE OF MEDICENE (US) 2012-06-14 WO disclosed