SCHEMBL22754163

SCHEMBL22754163

CNc1nc2c(c(NCc3c(Cl)cccc3Cl)n1)NCC2

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EIF2AK1 Q9BQI3 11/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ LCK P06239 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ CSF1R P07333 1/20 0.35
▸ GPR39 O43194 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33

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
SCHEMBL19929868 0.70 JAK2 (0.43) EIF2AK1MEN1KMT2ALCKBTK
SCHEMBL13845183 0.68 CSF1R (0.41) EIF2AK1MEN1KMT2ALCKBTK
SCHEMBL13845176 0.66 JAK2 (0.44) CSF1R
SCHEMBL19930075 0.65 YTHDC1 (0.38) —
SCHEMBL19929931 0.62 LMNA (0.38) EIF2AK1LCKBTKCSF1RMAPT
Hydrochloric Acid SCHEMBL11551221 0.61 HDAC3 (0.54) LCKBTKTAAR1KDM4EALDH1A1
SCHEMBL4908101 0.58 HPGD (0.44) MEN1KMT2AKDM4EALDH1A1PLA2G1B
SCHEMBL18669041 0.58 KDM4E (0.43) EIF2AK1MEN1KMT2ATAAR1KDM4E
SCHEMBL28137002 0.58 CSF1R (0.49) TAAR1CSF1RKDM4EALDH1A1PLA2G1B
SCHEMBL2570362 0.57 TAAR1 (0.46) MEN1KMT2ATAAR1KDM4EMAPT

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-3290420-B1 PYRIMIDINE PYRROLE COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION, AND USES THEREOF UNIV XIAMEN (CN) 2020-12-09 — — EP disclosed
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