SCHEMBL16992848

SCHEMBL16992848

Cc1n[nH]c(N)c1Cc1ccc(Cl)cc1F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
PROKR1 Q8TCW9 4/20 0.42
FPR2 P25090 3/20 0.42
P2RX7 Q99572 6/20 0.39
MPO P05164 2/20 0.38
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
LIMK1 P53667 1/20 0.35
LIMK2 P53671 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL16992785 0.84 ALDH1A1 (0.40) ALDH1A1POLBTSHRKMT2ASMN1; SMN2
SCHEMBL16992820 0.81 SMN1; SMN2 (0.46) ALDH1A1POLBTSHRKMT2ASMN1; SMN2
SCHEMBL6218818 0.80 ALDH1A1 (0.44) ALDH1A1POLBKMT2AHTTP2RX7
SCHEMBL13516409 0.76 P2RX7 (0.45) ALDH1A1POLBKMT2ASMN1; SMN2P2RX7
SCHEMBL13516703 0.74 CCR2 (0.50) POLBSMN1; SMN2P2RX7MPO
SCHEMBL13516129 0.74 SMN1; SMN2 (0.50) ALDH1A1KMT2ASMN1; SMN2HTTP2RX7
SCHEMBL14720127 0.71 PNMT (0.43) SMN1; SMN2P2RX7IDO1
SCHEMBL4604208 0.71 KMT2A (0.48) ALDH1A1POLBTSHRKMT2ASMN1; SMN2
SCHEMBL14720282 0.70 ALDH1A1 (0.47) ALDH1A1TSHRKMT2ASMN1; SMN2HTT
SCHEMBL25423598 0.67 PTGER1 (0.39) ALDH1A1POLBTSHRKMT2AMPO

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-2015118434-A1 PYRAZOLO[1,5-a]PYRIMIDINE DERIVATIVES AS KINASE JAK-2 INHIBITORS CELON PHARMA S.A. (PL) 2015-08-13 WO disclosed