SCHEMBL17844432

SCHEMBL17844432

C[Si](C)(C)CCOCn1nc(C2=CCN(C(=O)O)CC2)c2c(Cl)ccnc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.33
GRIA1 P42261 1/20 0.32
CNR1 P21554 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL17844418 0.90 LIMK1 (0.34) TRPV1GRIA1ALDH1A1SMN1; SMN2
SCHEMBL17837491 0.89 GRM1 (0.41) CNR1
SCHEMBL17844397 0.89 QDPR (0.35)
SCHEMBL17837729 0.79 GRM1 (0.44)
SCHEMBL17837904 0.78 GRM1 (0.42)
SCHEMBL17837694 0.74 GRM5 (0.47)
SCHEMBL22013966 0.73 MAPT (0.35) ALDH1A1
SCHEMBL30908099 0.73 MAPT (0.35) ALDH1A1
SCHEMBL26720538 0.73 KMT2A (0.34)
SCHEMBL17837901 0.72 DGAT1 (0.32)

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-3233829-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS Pfizer Inc (US) 2017-10-25 EP disclosed
WO-2016097918-A1 PYRIMIDINE AND TRIAZINE DERIVATIVES AND THEIR USE AS AXL INHIBITORS PFIZER INC. (US) 2016-06-23 WO disclosed