SCHEMBL7843489

SCHEMBL7843489

CNC1CCCC1.c1nc(NCC2CCCC2)c2cc[nH]c2n1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.63
JAK2 O60674 7/20 0.63
HPGDS O60760 1/20 0.60
DOT1L Q8TEK3 1/20 0.53
IRAK4 Q9NWZ3 1/20 0.47
JAK3 P52333 5/20 0.45
RET P07949 1/20 0.45

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
SCHEMBL7853326 0.99 JAK1 (0.62) JAK1JAK2HPGDSDOT1LIRAK4
SCHEMBL7850265 0.99 JAK1 (0.62) JAK1JAK2HPGDSDOT1LIRAK4
SCHEMBL7088975 0.98 JAK1 (0.60) JAK1JAK2HPGDSDOT1LIRAK4
SCHEMBL3534327 0.91 JAK2 (0.70) JAK1JAK2HPGDSIRAK4JAK3
SCHEMBL3542480 0.90 JAK1 (0.68) JAK1JAK2HPGDSIRAK4JAK3
SCHEMBL3542175 0.90 JAK1 (0.68) JAK1JAK2HPGDSIRAK4JAK3
SCHEMBL3535218 0.90 JAK1 (0.68) JAK1JAK2HPGDSIRAK4JAK3
SCHEMBL3533456 0.90 JAK1 (0.68) JAK1JAK2HPGDSIRAK4JAK3
SCHEMBL3541752 0.90 JAK1 (0.68) JAK1JAK2HPGDSIRAK4JAK3
SCHEMBL3534101 0.88 JAK1 (0.66) JAK1JAK2HPGDSIRAK4JAK3

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-1087970-A1 PYRROLO 2,3-d]PYRIMIDINE COMPOUNDS Pfizer Products Inc. (US) 2001-04-04 EP disclosed
WO-1999065908-A1 PYRROLO[2,3-d]PYRIMIDINE COMPOUNDS PFIZER PRODUCTS INC. (US) 1999-12-23 WO disclosed