SCHEMBL8266822

SCHEMBL8266822

O=C(c1cnc(N2CCOCC2)nc1-c1ccccc1F)N1CCCC(C2=CC=C(F)CC2)C1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ BCR P11274 1/20 0.40
▸ PTPN11 Q06124 1/20 0.37
▸ TP53 P04637 2/20 0.37
▸ PDE2A O00408 2/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ RORC P51449 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MGLL Q99685 1/20 0.35
▸ CAMK1D Q8IU85 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL11923288 0.85 ALDH1A1 (0.47) LMNAABL1BCRTP53PDE2A
SCHEMBL8268278 0.83 ABL1 (0.52) LMNAABL1BCRPTPN11TP53
SCHEMBL8267373 0.82 ABL1 (0.51) LMNAABL1BCRPTPN11TP53
SCHEMBL8267844 0.81 ABL1 (0.53) LMNAABL1BCRPTPN11TP53
SCHEMBL11923375 0.79 KDM4E (0.48) LMNAABL1BCRPTPN11TP53
SCHEMBL8267367 0.79 ABL1 (0.45) LMNAABL1BCRPTPN11TP53
SCHEMBL8266816 0.78 ABL1 (0.48) LMNAABL1BCRPTPN11TP53
SCHEMBL8267648 0.77 PDE4B (0.49) LMNAABL1BCRPTPN11PDE4B
SCHEMBL2948308 0.76 PTPN11 (0.52) LMNAABL1BCRPTPN11TP53
SCHEMBL8265841 0.75 MAPT (0.47) LMNAABL1BCRTP53KMT2A

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-2006050476-A2 PYRIMIDINE DERIVATIVES AS ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-05-11 — — WO disclosed
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