SCHEMBL21301163

SCHEMBL21301163

CCC1CCCN1Cc1sc(NC)nc1-c1ccc(N2CCOCC2)c(C(F)(F)F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 3/20 0.40
▸ PDE3B Q13370 2/20 0.40
▸ PDE3A Q14432 2/20 0.40
▸ S1PR1 P21453 2/20 0.38
▸ CRHR1 P34998 1/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ MPL P40238 2/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ CSF1R P07333 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ AXL P30530 1/20 0.33
▸ TYRO3 Q06418 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ AR P10275 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ SYK P43405 1/20 0.32

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
SCHEMBL18724210 0.84 MAPK1 (0.42) S1PR1CRHR1MPLSMN1; SMN2ALDH1A1
SCHEMBL21005887 0.82 CRHR1 (0.38) PDE3BPDE3AS1PR1CRHR1MPL
SCHEMBL21005959 0.80 MEN1 (0.47) CRHR1MEN1ALDH1A1KMT2A
SCHEMBL18724252 0.80 MEN1 (0.47) CRHR1MEN1ALDH1A1KMT2A
SCHEMBL17400632 0.80 MPL (0.49) CYP2C9MPL
SCHEMBL21301026 0.80 CRHR1 (0.40) S1PR1CRHR1MPLSMN1; SMN2ALDH1A1
SCHEMBL21005922 0.78 MPL (0.43) CRHR1MPLARMAPT
SCHEMBL18724299 0.77 CRHR1 (0.35) CRHR1MPLJAK2MEN1KMT2A
SCHEMBL18724337 0.77 CRHR1 (0.40) CRHR1MPL
SCHEMBL21301073 0.77 MAPK1 (0.43) S1PR1CRHR1CYP2C9SMN1; SMN2MEN1

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
EP-2963036-B1 2-ACYLAMINOTHIAZOLE DERIVATIVE AND SALT THEREOF ASTELLAS PHARMA INC (JP) 2019-08-28 — — EP disclosed
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