SCHEMBL18797648

SCHEMBL18797648

C[C@]1(C(=O)N2CCOCC2)CO[C@@H](c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 9/20 1.00
MAPK12 P53778 9/20 1.00
MAPK11 Q15759 9/20 1.00
MAPK14 Q16539 9/20 1.00
CSNK1A1 P48729 1/20 0.49
CSNK1D P48730 1/20 0.49
RPS6KA3 P51812 1/20 0.49
RAF1 P04049 2/20 0.48
MAPK9 P45984 2/20 0.48
SOAT1 P35610 2/20 0.47
ALOX5 P09917 1/20 0.47

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
SCHEMBL5770288 1.00 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL20555598 1.00 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
Bromide SCHEMBL5770111 0.98 MAPK13 (0.97) MAPK13MAPK12MAPK11MAPK14CSNK1A1
Hydrochloric Acid SCHEMBL5768856 0.98 MAPK13 (0.97) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5772040 0.96 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL29437788 0.96 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5767876 0.93 MAPK13 (0.87) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770557 0.92 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5771142 0.91 MAPK13 (0.84) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5772600 0.90 MAPK11 (0.82) MAPK13MAPK12MAPK11MAPK14CSNK1A1

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-3368052-A1 USE OF MAPK INHIBITORS TO REDUCE LOSS OF HEMATOPOIETIC STEM CELLS DURING EX VIVO CULTURE AND/OR GENETIC MANIPULATION Children's Hospital Medical Center (US) 2018-09-05 EP disclosed
WO-2017075274-A1 USE OF MAPK INHIBITORS TO REDUCE LOSS OF HEMATOPOIETIC STEM CELLS DURING EX VIVO CULTURE AND/OR GENETIC MANIPULATION CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2017-05-04 WO disclosed